rel-(5aR,7S,8aR)-N-{2-[benzyl(ethyl)amino]ethyl}-4-(oxane-4-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N-{2-[benzyl(ethyl)amino]ethyl}-4-(oxane-4-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
rel-(5aR,7S,8aR)-N-{2-[benzyl(ethyl)amino]ethyl}-4-(oxane-4-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | SB46-0236 |
| Compound Name: | rel-(5aR,7S,8aR)-N-{2-[benzyl(ethyl)amino]ethyl}-4-(oxane-4-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 470.61 |
| Molecular Formula: | C26 H38 N4 O4 |
| Smiles: | CCN(CCNC([C@H]1C[C@@H]2CN(CC(N[C@@H]2C1)=O)C(C1CCOCC1)=O)=O)Cc1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2688 |
| logD: | 0.418 |
| logSw: | -1.971 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.923 |
| InChI Key: | NIHZBFLAZZUKSD-ZRBLBEILSA-N |