rel-(5aR,7S,8aR)-7-(2,3-dihydro-1H-indole-1-carbonyl)-4-(oxane-4-carbonyl)octahydrocyclopenta[e][1,4]diazepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-7-(2,3-dihydro-1H-indole-1-carbonyl)-4-(oxane-4-carbonyl)octahydrocyclopenta[e][1,4]diazepin-2(1H)-one
rel-(5aR,7S,8aR)-7-(2,3-dihydro-1H-indole-1-carbonyl)-4-(oxane-4-carbonyl)octahydrocyclopenta[e][1,4]diazepin-2(1H)-one
Compound characteristics
| Compound ID: | SB46-0245 |
| Compound Name: | rel-(5aR,7S,8aR)-7-(2,3-dihydro-1H-indole-1-carbonyl)-4-(oxane-4-carbonyl)octahydrocyclopenta[e][1,4]diazepin-2(1H)-one |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C23 H29 N3 O4 |
| Smiles: | C1COCCC1C(N1CC(N[C@@H]2C[C@H](C[C@@H]2C1)C(N1CCc2ccccc12)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4485 |
| logD: | 1.4485 |
| logSw: | -2.1119 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.661 |
| InChI Key: | SARNGXOBKKHPEJ-OTWHNJEPSA-N |