rel-(5aR,7S,8aR)-N-benzyl-7-(morpholine-4-carbonyl)-2-oxooctahydrocyclopenta[e][1,4]diazepine-4(1H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N-benzyl-7-(morpholine-4-carbonyl)-2-oxooctahydrocyclopenta[e][1,4]diazepine-4(1H)-carboxamide
rel-(5aR,7S,8aR)-N-benzyl-7-(morpholine-4-carbonyl)-2-oxooctahydrocyclopenta[e][1,4]diazepine-4(1H)-carboxamide
Compound characteristics
| Compound ID: | SB46-0649 |
| Compound Name: | rel-(5aR,7S,8aR)-N-benzyl-7-(morpholine-4-carbonyl)-2-oxooctahydrocyclopenta[e][1,4]diazepine-4(1H)-carboxamide |
| Molecular Weight: | 400.48 |
| Molecular Formula: | C21 H28 N4 O4 |
| Smiles: | C1[C@@H](C[C@@H]2[C@H]1CN(CC(N2)=O)C(NCc1ccccc1)=O)C(N1CCOCC1)=O |
| Stereo: | RELATIVE |
| logP: | 0.2705 |
| logD: | 0.2705 |
| logSw: | -1.7915 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.581 |
| InChI Key: | NIGOPRVSYKAFNY-KSZLIROESA-N |