rel-(5aR,7S,8aR)-4-(methanesulfonyl)-N-[(2-methoxyphenyl)methyl]-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-4-(methanesulfonyl)-N-[(2-methoxyphenyl)methyl]-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
rel-(5aR,7S,8aR)-4-(methanesulfonyl)-N-[(2-methoxyphenyl)methyl]-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | SB46-0787 |
| Compound Name: | rel-(5aR,7S,8aR)-4-(methanesulfonyl)-N-[(2-methoxyphenyl)methyl]-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C18 H25 N3 O5 S |
| Smiles: | COc1ccccc1CNC([C@H]1C[C@@H]2CN(CC(N[C@@H]2C1)=O)S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.34 |
| logD: | 0.34 |
| logSw: | -2.3132 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.752 |
| InChI Key: | DLLBBBLSQMFRBD-SOUVJXGZSA-N |