rel-(3aR,5S,6aR)-2-benzyl-5-[(1-ethyl-1H-pyrazole-4-carbonyl)amino]-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,5S,6aR)-2-benzyl-5-[(1-ethyl-1H-pyrazole-4-carbonyl)amino]-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
rel-(3aR,5S,6aR)-2-benzyl-5-[(1-ethyl-1H-pyrazole-4-carbonyl)amino]-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | SD64-0518 |
| Compound Name: | rel-(3aR,5S,6aR)-2-benzyl-5-[(1-ethyl-1H-pyrazole-4-carbonyl)amino]-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 395.5 |
| Molecular Formula: | C22 H29 N5 O2 |
| Smiles: | [H][C@]12C[C@@H](C[C@@]2(CN(Cc2ccccc2)C1)C(NC)=O)NC(c1cnn(CC)c1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1548 |
| logD: | -2.1316 |
| logSw: | -1.8112 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.774 |
| InChI Key: | KZKRAEACHVAMRA-DXIQSLLYSA-N |