Cas no 191212-59-6 (Alternatamide B; 6-Debromo)
Alternatamide B; 6-Debromo structure
Product Name:Alternatamide B; 6-Debromo
CAS No:191212-59-6
MF:C17H23Br2N3O
MW:445.192022562027
CID:2734685
Update Time:2024-03-01
Alternatamide B; 6-Debromo Chemical and Physical Properties
Names and Identifiers
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- Alternatamide B; 6-Debromo
-
- Inchi： 1S/C17H23Br2N3O/c1-10(2)8-15(20-3)17(23)21-7-6-12-13-9-11(18)4-5-14(13)22-16(12)19/h4-5,9-10,15,20,22H,6-8H2,1-3H3,(H,21,23)
- InChI Key： NGOMPZFXFWQELT-UHFFFAOYSA-N
- SMILES： CNC(C(NCCC1C2C(=CC=C(C=2)Br)NC=1Br)=O)CC(C)C
Computed Properties
- Exact Mass: 445.019
- Monoisotopic Mass: 443.021
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 7
- Complexity: 394
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 56.9A^2
- XLogP3: 3.32
Alternatamide B; 6-Debromo Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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