N-{[4-benzyl-5-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide
Chemical Structure Depiction of
N-{[4-benzyl-5-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide
N-{[4-benzyl-5-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide
Compound characteristics
| Compound ID: | A0070977 |
| Compound Name: | N-{[4-benzyl-5-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide |
| Molecular Weight: | 652.79 |
| Molecular Formula: | C34 H32 N6 O4 S2 |
| Smiles: | COc1ccc(cc1)C1CC(c2cccs2)=NN1C(CSc1nnc(CNC(c2cccc(c2)OC)=O)n1Cc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.74 |
| logD: | 5.74 |
| logSw: | -5.5194 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.356 |
| InChI Key: | LFWIZEHISLQDTE-GDLZYMKVSA-N |