rel-(5aR,7S,8aR)-N-butyl-4-(1-ethyl-1H-pyrazole-5-carbonyl)-N-methyl-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N-butyl-4-(1-ethyl-1H-pyrazole-5-carbonyl)-N-methyl-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
rel-(5aR,7S,8aR)-N-butyl-4-(1-ethyl-1H-pyrazole-5-carbonyl)-N-methyl-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | SB46-0371 |
| Compound Name: | rel-(5aR,7S,8aR)-N-butyl-4-(1-ethyl-1H-pyrazole-5-carbonyl)-N-methyl-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 389.5 |
| Molecular Formula: | C20 H31 N5 O3 |
| Smiles: | CCCCN(C)C([C@H]1C[C@@H]2CN(CC(N[C@@H]2C1)=O)C(c1ccnn1CC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4999 |
| logD: | 0.4999 |
| logSw: | -1.9314 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.371 |
| InChI Key: | QKSOKDONDVKWIC-XHSDSOJGSA-N |