rel-(5aR,7S,8aR)-N-{3-[methyl(phenyl)amino]propyl}-4-(oxane-4-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N-{3-[methyl(phenyl)amino]propyl}-4-(oxane-4-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
rel-(5aR,7S,8aR)-N-{3-[methyl(phenyl)amino]propyl}-4-(oxane-4-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | SB46-0206 |
| Compound Name: | rel-(5aR,7S,8aR)-N-{3-[methyl(phenyl)amino]propyl}-4-(oxane-4-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 456.59 |
| Molecular Formula: | C25 H36 N4 O4 |
| Smiles: | CN(CCCNC([C@H]1C[C@@H]2CN(CC(N[C@@H]2C1)=O)C(C1CCOCC1)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8925 |
| logD: | 0.8869 |
| logSw: | -1.8894 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.441 |
| InChI Key: | LQQVLLIWDPPHJX-VWPQPMDRSA-N |