rel-(5aR,7S,8aR)-N-{2-[ethyl(phenyl)amino]ethyl}-4-(methanesulfonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N-{2-[ethyl(phenyl)amino]ethyl}-4-(methanesulfonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
rel-(5aR,7S,8aR)-N-{2-[ethyl(phenyl)amino]ethyl}-4-(methanesulfonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | SB46-0841 |
| Compound Name: | rel-(5aR,7S,8aR)-N-{2-[ethyl(phenyl)amino]ethyl}-4-(methanesulfonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C20 H30 N4 O4 S |
| Smiles: | CCN(CCNC([C@H]1C[C@@H]2CN(CC(N[C@@H]2C1)=O)S(C)(=O)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7554 |
| logD: | 0.7512 |
| logSw: | -2.2869 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.953 |
| InChI Key: | QIKBNTZVJRGBAP-XYJFISCASA-N |