rel-(5aR,7S,8aR)-N-[(2,4-dimethoxyphenyl)methyl]-4-(methanesulfonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N-[(2,4-dimethoxyphenyl)methyl]-4-(methanesulfonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
rel-(5aR,7S,8aR)-N-[(2,4-dimethoxyphenyl)methyl]-4-(methanesulfonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | SB46-0772 |
| Compound Name: | rel-(5aR,7S,8aR)-N-[(2,4-dimethoxyphenyl)methyl]-4-(methanesulfonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 425.5 |
| Molecular Formula: | C19 H27 N3 O6 S |
| Smiles: | COc1ccc(CNC([C@H]2C[C@@H]3CN(CC(N[C@@H]3C2)=O)S(C)(=O)=O)=O)c(c1)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3383 |
| logD: | 0.3383 |
| logSw: | -2.4796 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.295 |
| InChI Key: | TWXXOFCYZXROSA-OFQRWUPVSA-N |