Cas no 6079-87-4 (2-(4-acetylphenyl)-6-(2-hydroxy-5-methoxyphenyl)-9-methyl-3a,4,6,11,11a,11b-hexahydro-1H-naphtho[2,3-e]isoindole-1,3,7,10(2H)-tetrone)
![2-(4-acetylphenyl)-6-(2-hydroxy-5-methoxyphenyl)-9-methyl-3a,4,6,11,11a,11b-hexahydro-1H-naphtho[2,3-e]isoindole-1,3,7,10(2H)-tetrone structure](https://ossimg.kuujia.com/scimg/6500/6079-87-4x500.png)
6079-87-4 structure
Product Name:2-(4-acetylphenyl)-6-(2-hydroxy-5-methoxyphenyl)-9-methyl-3a,4,6,11,11a,11b-hexahydro-1H-naphtho[2,3-e]isoindole-1,3,7,10(2H)-tetrone
CAS No:6079-87-4
MF:C12H18N4O2
MW:250.296922206879
CID:953542
PubChem ID:319084
Update Time:2025-04-19
2-(4-acetylphenyl)-6-(2-hydroxy-5-methoxyphenyl)-9-methyl-3a,4,6,11,11a,11b-hexahydro-1H-naphtho[2,3-e]isoindole-1,3,7,10(2H)-tetrone Chemical and Physical Properties
Names and Identifiers
-
- 2-(4-acetylphenyl)-6-(2-hydroxy-5-methoxyphenyl)-9-methyl-3a,4,6,11,11a,11b-hexahydro-1H-naphtho[2,3-e]isoindole-1,3,7,10(2H)-tetrone
- terephthalic acid bis(2,2-dimethylhydrazide); Brethin; Kelger; [(2E)-6,6-dimethylhept-2-en-4-yn-1-yl](methyl)(naphthalen-1-ylmethyl)amine hydrochloride; Bricar; (E)-N-(6,6-dimethyl-2-hepten-4-ynyl)-N-methyl-1-naphthalenemethanamine hydrochloride; Terbina; Bricyn; LAMISIL; Bricaril; Terbinafine hydrochloride; Brican; lamosil; Muzonal; N-[(2E)-6,6-dimethyl-hept-2-en-4-ynyl]-N-methyl-(1-naphthylmethyl)amine hydrochloride; terbinafine;
- NSC-260589
- DTXSID10976267
- 6079-87-4
- N'~1~,N'~1~,N'~4~,N'~4~-Tetramethylbenzene-1,4-dicarbohydrazide
- NSC260589
-
- Inchi： 1S/C12H18N4O2/c1-15(2)13-11(17)9-5-7-10(8-6-9)12(18)14-16(3)4/h5-8H,1-4H3,(H,13,17)(H,14,18)
- InChI Key： AISRECPXJSMRCS-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(C(NN(C)C)=O)=CC=1)NN(C)C
Computed Properties
- Exact Mass: 537.17881
- Monoisotopic Mass: 250.14297583g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 267
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 64.7?2
Experimental Properties
- PSA: 118.05
2-(4-acetylphenyl)-6-(2-hydroxy-5-methoxyphenyl)-9-methyl-3a,4,6,11,11a,11b-hexahydro-1H-naphtho[2,3-e]isoindole-1,3,7,10(2H)-tetrone Related Literature
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