rel-(5aR,7S,8aR)-7-(2,3-dihydro-1H-indole-1-carbonyl)-4-(1-ethyl-1H-pyrazole-5-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-(1-ethyl-1H-pyrazole-5-carbonyl)octahydrocyclopenta[e][1,4]diazepin-2(1H)-one
rel-(5aR,7S,8aR)-7-(2,3-dihydro-1H-indole-1-carbonyl)-4-(1-ethyl-1H-pyrazole-5-carbonyl)octahydrocyclopenta[e][1,4]diazepin-2(1H)-one
Compound characteristics
| Compound ID: | SB46-0311 |
| Compound Name: | rel-(5aR,7S,8aR)-7-(2,3-dihydro-1H-indole-1-carbonyl)-4-(1-ethyl-1H-pyrazole-5-carbonyl)octahydrocyclopenta[e][1,4]diazepin-2(1H)-one |
| Molecular Weight: | 421.5 |
| Molecular Formula: | C23 H27 N5 O3 |
| Smiles: | CCn1c(ccn1)C(N1CC(N[C@@H]2C[C@H](C[C@@H]2C1)C(N1CCc2ccccc12)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1277 |
| logD: | 1.1277 |
| logSw: | -2.1424 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.649 |
| InChI Key: | MTFMOKFXPXTLLL-KSZLIROESA-N |