N-{[4-benzyl-5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
N-{[4-benzyl-5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
N-{[4-benzyl-5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | A0070995 |
| Compound Name: | N-{[4-benzyl-5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 676.8 |
| Molecular Formula: | C37 H36 N6 O5 S |
| Smiles: | COc1ccc(cc1)C1CC(c2cccc(c2OC)OC)N(C(CSc2nnc(CNC(c3ccccc3)=O)n2Cc2ccccc2)=O)N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6196 |
| logD: | 5.6196 |
| logSw: | -5.5738 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.142 |
| InChI Key: | OTOXWAMCXXYGKQ-HKBQPEDESA-N |