rel-(5aR,7S,8aR)-N-benzyl-7-(2,3-dihydro-1H-indole-1-carbonyl)-2-oxooctahydrocyclopenta[e][1,4]diazepine-4(1H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N-benzyl-7-(2,3-dihydro-1H-indole-1-carbonyl)-2-oxooctahydrocyclopenta[e][1,4]diazepine-4(1H)-carboxamide
rel-(5aR,7S,8aR)-N-benzyl-7-(2,3-dihydro-1H-indole-1-carbonyl)-2-oxooctahydrocyclopenta[e][1,4]diazepine-4(1H)-carboxamide
Compound characteristics
| Compound ID: | SB46-0656 |
| Compound Name: | rel-(5aR,7S,8aR)-N-benzyl-7-(2,3-dihydro-1H-indole-1-carbonyl)-2-oxooctahydrocyclopenta[e][1,4]diazepine-4(1H)-carboxamide |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C25 H28 N4 O3 |
| Smiles: | C1CN(C([C@H]2C[C@@H]3CN(CC(N[C@@H]3C2)=O)C(NCc2ccccc2)=O)=O)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2145 |
| logD: | 2.2145 |
| logSw: | -2.5477 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.703 |
| InChI Key: | JTDIQDZFUODVKM-HBMCJLEFSA-N |