rel-(5aR,7S,8aR)-N~4~-benzyl-2-oxo-N~7~-[2-(thiophen-2-yl)ethyl]octahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N~4~-benzyl-2-oxo-N~7~-[2-(thiophen-2-yl)ethyl]octahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
rel-(5aR,7S,8aR)-N~4~-benzyl-2-oxo-N~7~-[2-(thiophen-2-yl)ethyl]octahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
Compound characteristics
| Compound ID: | SB46-0676 |
| Compound Name: | rel-(5aR,7S,8aR)-N~4~-benzyl-2-oxo-N~7~-[2-(thiophen-2-yl)ethyl]octahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide |
| Molecular Weight: | 440.56 |
| Molecular Formula: | C23 H28 N4 O3 S |
| Smiles: | C(CNC([C@H]1C[C@@H]2CN(CC(N[C@@H]2C1)=O)C(NCc1ccccc1)=O)=O)c1cccs1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7027 |
| logD: | 1.7027 |
| logSw: | -2.2882 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.297 |
| InChI Key: | CMAOMYCFQDTPPU-QWFCFKBJSA-N |