N-(3-Hydroxypregn-5-en-20-ylidene)(1H-indol-3-yl)ethanehydrazonic acid
N-[1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethylideneamino]-2-(1H-indol-3-yl)acetamide
Also Known As: N-(3-Hydroxypregn-5-en-20-ylidene)(1H-indol-3-yl)ethanehydrazonic acid|N-(3-Hydroxypregn-5-en-20-ylidene)-2-(1H-indol-3-yl)ethanehydrazonic acid|N-[1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethylideneamino]-2-(1H-indol-3-yl)acetamide
| Molecular Formula | C31H41N3O2 |
|---|---|
| Molecular Weight | 487.3199 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 487.3199 |
| Monoisotopic Mass | 487.3199 |
| Heavy Atoms | 36 |
| Complexity | 929.0 |
Chemical Identifiers
| CAS Number | 28625-75-4 |
|---|---|
| SMILES | CC(=NNC(=O)CC1=CNC2=CC=CC=C21)C3CCC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C |
| InChIKey | WBLZXQSVAXDGFP-UHFFFAOYSA-N |
Product Overview
N-(3-Hydroxypregn-5-en-20-ylidene)(1H-indol-3-yl)ethanehydrazonic acid (CAS 28625-75-4), with molecular formula C31H41N3O2 and molecular weight 487.3199 g/mol. IUPAC: N-[1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethylideneamino]-2-(1H-indol-3-yl)acetamide.