rel-(5aR,7S,8aR)-4-(methanesulfonyl)-N-[(3-methoxyphenyl)methyl]-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-4-(methanesulfonyl)-N-[(3-methoxyphenyl)methyl]-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
rel-(5aR,7S,8aR)-4-(methanesulfonyl)-N-[(3-methoxyphenyl)methyl]-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | SB46-0782 |
| Compound Name: | rel-(5aR,7S,8aR)-4-(methanesulfonyl)-N-[(3-methoxyphenyl)methyl]-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C18 H25 N3 O5 S |
| Smiles: | COc1cccc(CNC([C@H]2C[C@@H]3CN(CC(N[C@@H]3C2)=O)S(C)(=O)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.216 |
| logD: | 0.216 |
| logSw: | -2.4209 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.665 |
| InChI Key: | PNJUSCFLKTWSCY-OFQRWUPVSA-N |