N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3-fluorobenzamide
Chemical Structure Depiction of
N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3-fluorobenzamide
N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3-fluorobenzamide
Compound characteristics
Compound ID: | A0070292 |
Compound Name: | N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3-fluorobenzamide |
Molecular Weight: | 684.81 |
Molecular Formula: | C35 H33 F N6 O4 S2 |
Smiles: | Cc1ccc(C)c(c1)n1c(CNC(c2cccc(c2)F)=O)nnc1SCC(N1C(CC(c2cccs2)=N1)c1cccc(c1OC)OC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.4289 |
logD: | 6.4288 |
logSw: | -5.6329 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 93.059 |
InChI Key: | QMEGPGPFLLBVAY-MUUNZHRXSA-N |