N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide
Chemical Structure Depiction of
N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide
N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide
Compound characteristics
Compound ID: | A0070266 |
Compound Name: | N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide |
Molecular Weight: | 618.69 |
Molecular Formula: | C31 H31 F N6 O5 S |
Smiles: | Cn1c(CNC(c2ccccc2F)=O)nnc1SCC(N1C(CC(c2ccc(cc2)OC)=N1)c1cccc(c1OC)OC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.2267 |
logD: | 4.2267 |
logSw: | -4.4036 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 100.223 |
InChI Key: | ZHLIQDARDMDWIO-VWLOTQADSA-N |