N-{[4-(4-fluorophenyl)-5-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide
Chemical Structure Depiction of
N-{[4-(4-fluorophenyl)-5-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide
N-{[4-(4-fluorophenyl)-5-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide
Compound characteristics
Compound ID: | A0070416 |
Compound Name: | N-{[4-(4-fluorophenyl)-5-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide |
Molecular Weight: | 656.76 |
Molecular Formula: | C33 H29 F N6 O4 S2 |
Smiles: | COc1ccc(cc1)C1CC(c2cccs2)=NN1C(CSc1nnc(CNC(c2cccc(c2)OC)=O)n1c1ccc(cc1)F)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.5631 |
logD: | 5.5631 |
logSw: | -5.506 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 93.1 |
InChI Key: | BMXIBQIWHMIFPT-MUUNZHRXSA-N |