rel-(5aR,7S,8aR)-N-[(2-methoxyphenyl)methyl]-4-(oxane-4-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N-[(2-methoxyphenyl)methyl]-4-(oxane-4-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
rel-(5aR,7S,8aR)-N-[(2-methoxyphenyl)methyl]-4-(oxane-4-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | SB46-0268 |
| Compound Name: | rel-(5aR,7S,8aR)-N-[(2-methoxyphenyl)methyl]-4-(oxane-4-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 429.52 |
| Molecular Formula: | C23 H31 N3 O5 |
| Smiles: | COc1ccccc1CNC([C@H]1C[C@@H]2CN(CC(N[C@@H]2C1)=O)C(C1CCOCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0253 |
| logD: | 1.0253 |
| logSw: | -2.0461 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.026 |
| InChI Key: | NKMBEALQJULKNU-OTWHNJEPSA-N |