Cas no 79692-35-6 ( )
structure
Product Name:
CAS No:79692-35-6
MF:C63H112N6O3
MW:1001.60179805756
CID:984817
PubChem ID:301215
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- N-[5-(diethylamino)pentan-2-yl]-N-[4-[[4-[5-(diethylamino)pentan-2-yl-hexadecanoylamino]phenyl]carbamoylamino]phenyl]hexadecanamide
- AC1L6XY8
- AG-H-19535
- CTK5E7026
- N-(5-diethylaminopentan-2-yl)-N-[4-[[4-(5-diethylaminopentan-2-yl-hexadecanoylamino)phenyl]carbamoylamino]phenyl]hexadecanamide
- N-(5-DIETHYLAMINOPENTAN-2-YL)-N-[4-[[4-(5-DIETHYLAMINOPENTAN-2-YL-HEXADECANOYL-AMINO)PHENYL]CARBAMOYLAMINO]PHENYL]HEXADECANAMIDE
- NSC177518
- NSC-177518
- DTXSID00306579
- N,N'-[Carbonylbis(azanediyl-4,1-phenylene)]bis{N-[5-(diethylamino)pentan-2-yl]hexadecanamide}
- 79692-35-6
- DS-011631
-
-
- Inchi： 1S/C63H112N6O3/c1-9-15-17-19-21-23-25-27-29-31-33-35-37-43-61(70)68(55(7)41-39-53-66(11-3)12-4)59-49-45-57(46-50-59)64-63(72)65-58-47-51-60(52-48-58)69(56(8)42-40-54-67(13-5)14-6)62(71)44-38-36-34-32-30-28-26-24-22-20-18-16-10-2/h45-52,55-56H,9-44,53-54H2,1-8H3,(H2,64,65,72)
- InChI Key： RDAAVVGVBGUTHH-UHFFFAOYSA-N
- SMILES： O=C(CCCCCCCCCCCCCCC)N(C1C=CC(=CC=1)NC(NC1C=CC(=CC=1)N(C(CCCCCCCCCCCCCCC)=O)C(C)CCCN(CC)CC)=O)C(C)CCCN(CC)CC
Computed Properties
- Exact Mass: 1000.88000
- Monoisotopic Mass: 1000.87959146g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 72
- Rotatable Bond Count: 46
- Complexity: 1180
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 19.7
- Topological Polar Surface Area: 88.2?2
Experimental Properties
- PSA: 88.23000
- LogP: 18.12620
Related Literature
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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