N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-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-phenyl-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-phenyl-4H-1,2,4-triazol-3-yl]methyl}-3-fluorobenzamide
Compound characteristics
Compound ID: | A0070273 |
Compound Name: | N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-3-fluorobenzamide |
Molecular Weight: | 656.76 |
Molecular Formula: | C33 H29 F N6 O4 S2 |
Smiles: | COc1cccc(C2CC(c3cccs3)=NN2C(CSc2nnc(CNC(c3cccc(c3)F)=O)n2c2ccccc2)=O)c1OC |
Stereo: | RACEMIC MIXTURE |
logP: | 5.3744 |
logD: | 5.3743 |
logSw: | -5.4156 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 93.36 |
InChI Key: | MJQBIGBLAHHXLM-AREMUKBSSA-N |