rel-(5aR,7S,8aR)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(oxane-4-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(oxane-4-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
rel-(5aR,7S,8aR)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(oxane-4-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | SB46-0264 |
| Compound Name: | rel-(5aR,7S,8aR)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(oxane-4-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 473.57 |
| Molecular Formula: | C25 H35 N3 O6 |
| Smiles: | COc1ccc(CCNC([C@H]2C[C@@H]3CN(CC(N[C@@H]3C2)=O)C(C2CCOCC2)=O)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4947 |
| logD: | 0.4947 |
| logSw: | -2.1229 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.498 |
| InChI Key: | FYCIIXGIWAOOER-ZCNNSNEGSA-N |