AC1L8B1Q
N-[(17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene)amino]-2-[4-[4-[4-[2-[2-(17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene)hydrazinyl]-2-oxoethoxy]phenyl]hex-3-en-3-yl]phenoxy]acetamide
Also Known As: 2,2'-[hex-3-ene-3,4-diylbis(benzene-4,1-diyloxy)]bis[N'-(17-|N-[(17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene)amino]-2-[4-[4-[4-[2-[2-(17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene)hydrazinyl]-2-oxoethoxy]phenyl]hex-3-en-3-yl]phenoxy]acetamide
| Molecular Formula | C60H80N4O6 |
|---|---|
| Molecular Weight | 952.6078 g/mol |
| LogP | 12.1 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 952.6078 |
| Monoisotopic Mass | 952.6078 |
| Heavy Atoms | 70 |
| Complexity | 1970.0 |
Chemical Identifiers
| CAS Number | 77579-75-0 |
|---|---|
| SMILES | CCC(=C(CC)C1=CC=C(C=C1)OCC(=O)NN=C2CCC3(C4CCC5(C(C4CCC3=C2)CCC5O)C)C)C6=CC=C(C=C6)OCC(=O)NN=C7CCC8(C9CCC1(C(C9CCC8=C7)CCC1O)C)C |
| InChIKey | NFKFJWNPYKBBRN-UHFFFAOYSA-N |
Product Overview
AC1L8B1Q (CAS 77579-75-0), with molecular formula C60H80N4O6 and molecular weight 952.6078 g/mol. IUPAC: N-[(17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene)amino]-2-[4-[4-[4-[2-[2-(17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene)hydrazinyl]-2-oxoethoxy]phenyl]hex-3-en-3-yl]phenoxy]acetamide.