rel-(5aR,7S,8aR)-7-(3,4-dihydroquinoline-1(2H)-carbonyl)-4-(oxane-4-carbonyl)octahydrocyclopenta[e][1,4]diazepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-7-(3,4-dihydroquinoline-1(2H)-carbonyl)-4-(oxane-4-carbonyl)octahydrocyclopenta[e][1,4]diazepin-2(1H)-one
rel-(5aR,7S,8aR)-7-(3,4-dihydroquinoline-1(2H)-carbonyl)-4-(oxane-4-carbonyl)octahydrocyclopenta[e][1,4]diazepin-2(1H)-one
Compound characteristics
| Compound ID: | SB46-0217 |
| Compound Name: | rel-(5aR,7S,8aR)-7-(3,4-dihydroquinoline-1(2H)-carbonyl)-4-(oxane-4-carbonyl)octahydrocyclopenta[e][1,4]diazepin-2(1H)-one |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C24 H31 N3 O4 |
| Smiles: | C1Cc2ccccc2N(C1)C([C@H]1C[C@@H]2CN(CC(N[C@@H]2C1)=O)C(C1CCOCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8153 |
| logD: | 1.8153 |
| logSw: | -2.3689 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.295 |
| InChI Key: | XAKOWNVANIIYOP-ZCNNSNEGSA-N |