rel-(5aR,7S,8aR)-N-(cyclopropylmethyl)-4-(1-ethyl-1H-pyrazole-5-carbonyl)-2-oxo-N-propyldecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N-(cyclopropylmethyl)-4-(1-ethyl-1H-pyrazole-5-carbonyl)-2-oxo-N-propyldecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
rel-(5aR,7S,8aR)-N-(cyclopropylmethyl)-4-(1-ethyl-1H-pyrazole-5-carbonyl)-2-oxo-N-propyldecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | SB46-0312 |
| Compound Name: | rel-(5aR,7S,8aR)-N-(cyclopropylmethyl)-4-(1-ethyl-1H-pyrazole-5-carbonyl)-2-oxo-N-propyldecahydrocyclopenta[e][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 415.54 |
| Molecular Formula: | C22 H33 N5 O3 |
| Smiles: | CCCN(CC1CC1)C([C@H]1C[C@@H]2CN(CC(N[C@@H]2C1)=O)C(c1ccnn1CC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.294 |
| logD: | 1.2938 |
| logSw: | -2.1847 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.683 |
| InChI Key: | ROPQTVGPLGFRFM-KSZLIROESA-N |