N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y044-4251 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxamide |
| Molecular Weight: | 351.45 |
| Molecular Formula: | C20 H25 N5 O |
| Smiles: | CC(C)[C@@H](c1nc2ccccc2[nH]1)NC(c1c2CCCCCc2[nH]n1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.5622 |
| logD: | 3.5603 |
| logSw: | -3.7947 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.579 |
| InChI Key: | TWXRPAGJRBXLBJ-KRWDZBQOSA-N |