N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxamide
Compound characteristics
Compound ID: | Y042-6775 |
Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxamide |
Molecular Weight: | 383.51 |
Molecular Formula: | C20 H25 N5 O S |
Smiles: | CSCC[C@@H](c1nc2ccccc2[nH]1)NC(c1c2CCCCCc2[nH]n1)=O |
Stereo: | ABSOLUTE |
logP: | 3.2676 |
logD: | 3.2664 |
logSw: | -3.6143 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 68.857 |
InChI Key: | CVJVXVFPJOQWDG-KRWDZBQOSA-N |