rel-(5aR,7S,8aR)-N-{3-[ethyl(phenyl)amino]propyl}-4-(oxane-4-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N-{3-[ethyl(phenyl)amino]propyl}-4-(oxane-4-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
rel-(5aR,7S,8aR)-N-{3-[ethyl(phenyl)amino]propyl}-4-(oxane-4-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | SB46-0276 |
| Compound Name: | rel-(5aR,7S,8aR)-N-{3-[ethyl(phenyl)amino]propyl}-4-(oxane-4-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 470.61 |
| Molecular Formula: | C26 H38 N4 O4 |
| Smiles: | CCN(CCCNC([C@H]1C[C@@H]2CN(CC(N[C@@H]2C1)=O)C(C1CCOCC1)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7503 |
| logD: | 1.7211 |
| logSw: | -2.3294 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.227 |
| InChI Key: | XIVVQLGLTRKDPW-XJUOHMSHSA-N |