N-{[4-(4-fluorophenyl)-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
N-{[4-(4-fluorophenyl)-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
N-{[4-(4-fluorophenyl)-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
Compound ID: | A0070143 |
Compound Name: | N-{[4-(4-fluorophenyl)-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide |
Molecular Weight: | 610.73 |
Molecular Formula: | C32 H27 F N6 O2 S2 |
Smiles: | Cc1ccc(cc1)C1CC(c2cccs2)=NN1C(CSc1nnc(CNC(c2ccccc2)=O)n1c1ccc(cc1)F)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.8369 |
logD: | 5.8369 |
logSw: | -5.6136 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 78.012 |
InChI Key: | CRTNTMQBJVDBJW-HHHXNRCGSA-N |