rel-(5aR,7S,8aR)-N-[(2,5-dimethylphenyl)methyl]-4-(oxane-4-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N-[(2,5-dimethylphenyl)methyl]-4-(oxane-4-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
rel-(5aR,7S,8aR)-N-[(2,5-dimethylphenyl)methyl]-4-(oxane-4-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | SB46-0218 |
| Compound Name: | rel-(5aR,7S,8aR)-N-[(2,5-dimethylphenyl)methyl]-4-(oxane-4-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 427.54 |
| Molecular Formula: | C24 H33 N3 O4 |
| Smiles: | Cc1ccc(C)c(CNC([C@H]2C[C@@H]3CN(CC(N[C@@H]3C2)=O)C(C2CCOCC2)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1194 |
| logD: | 2.1193 |
| logSw: | -2.6325 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.395 |
| InChI Key: | ZUUJMPMWFHEKLU-TYPHKJRUSA-N |