Cas no 85559-65-5 (Verbascenine)
Verbascenine structure
Product Name:Verbascenine
CAS No:85559-65-5
MF:C30H40N4O3
MW:504.663607597351
CID:732266
Update Time:2024-03-01
Verbascenine Chemical and Physical Properties
Names and Identifiers
-
- 1,5,9,13-Tetraazacycloheptadecan-6-one,13-acetyl-1-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-8-phenyl-, (8S)-
- Verbascenine
-
- Inchi： 1S/C30H40N4O3/c1-25(35)33-20-8-9-21-34(30(37)17-16-26-12-4-2-5-13-26)23-11-19-32-29(36)24-28(31-18-10-22-33)27-14-6-3-7-15-27/h2-7,12-17,28,31H,8-11,18-24H2,1H3,(H,32,36)/b17-16+/t28-/m0/s1
- InChI Key： QWIQBGWKCLURMP-XEKAQFCISA-N
- SMILES： O=C1C[C@@H](C2C=CC=CC=2)NCCCN(C(C)=O)CCCCN(C(/C=C/C2C=CC=CC=2)=O)CCCN1
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 37
- Rotatable Bond Count: 3
- Complexity: 728
- Topological Polar Surface Area: 81.8
Verbascenine Related Literature
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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