N-{[5-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methoxybenzamide
Chemical Structure Depiction of
N-{[5-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methoxybenzamide
N-{[5-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methoxybenzamide
Compound characteristics
Compound ID: | A0070463 |
Compound Name: | N-{[5-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methoxybenzamide |
Molecular Weight: | 680.76 |
Molecular Formula: | C36 H33 F N6 O5 S |
Smiles: | COc1ccc(cc1)C1CC(c2ccc(cc2)OC)=NN1C(CSc1nnc(CNC(c2ccc(cc2)OC)=O)n1c1ccc(cc1)F)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.6288 |
logD: | 5.6288 |
logSw: | -5.476 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 99.625 |
InChI Key: | OVMOPEJYSRJMNW-YTTGMZPUSA-N |