rel-(5aR,7S,8aR)-N-benzyl-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-oxooctahydrocyclopenta[e][1,4]diazepine-4(1H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N-benzyl-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-oxooctahydrocyclopenta[e][1,4]diazepine-4(1H)-carboxamide
rel-(5aR,7S,8aR)-N-benzyl-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-oxooctahydrocyclopenta[e][1,4]diazepine-4(1H)-carboxamide
Compound characteristics
| Compound ID: | SB46-0646 |
| Compound Name: | rel-(5aR,7S,8aR)-N-benzyl-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-oxooctahydrocyclopenta[e][1,4]diazepine-4(1H)-carboxamide |
| Molecular Weight: | 446.55 |
| Molecular Formula: | C26 H30 N4 O3 |
| Smiles: | C1CN(Cc2ccccc12)C([C@H]1C[C@@H]2CN(CC(N[C@@H]2C1)=O)C(NCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3105 |
| logD: | 2.3105 |
| logSw: | -2.6229 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.334 |
| InChI Key: | LEDJCGIQISPRMO-ZRBLBEILSA-N |