N-{[5-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-2-methoxybenzamide
Chemical Structure Depiction of
N-{[5-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-2-methoxybenzamide
N-{[5-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-2-methoxybenzamide
Compound characteristics
Compound ID: | A0070397 |
Compound Name: | N-{[5-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-2-methoxybenzamide |
Molecular Weight: | 588.66 |
Molecular Formula: | C30 H29 F N6 O4 S |
Smiles: | Cn1c(CNC(c2ccccc2OC)=O)nnc1SCC(N1C(CC(c2ccc(cc2)OC)=N1)c1ccc(cc1)F)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.2142 |
logD: | 4.2141 |
logSw: | -4.3812 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 92.506 |
InChI Key: | HHGWTBYVSOKJKO-VWLOTQADSA-N |