rel-(5aR,7S,8aR)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(1-ethyl-1H-pyrazole-5-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(1-ethyl-1H-pyrazole-5-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
rel-(5aR,7S,8aR)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(1-ethyl-1H-pyrazole-5-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | SB46-0300 |
| Compound Name: | rel-(5aR,7S,8aR)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(1-ethyl-1H-pyrazole-5-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 428.49 |
| Molecular Formula: | C21 H28 N6 O4 |
| Smiles: | CCn1c(ccn1)C(N1CC(N[C@@H]2C[C@H](C[C@@H]2C1)C(NCc1c(C)noc1C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.171 |
| logD: | -0.171 |
| logSw: | -1.7967 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.422 |
| InChI Key: | NGJWCDDTKXNHIR-UXLLHSPISA-N |