N-{[4-(2-methoxyphenyl)-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-{[4-(2-methoxyphenyl)-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-methyl-3-nitrobenzamide
N-{[4-(2-methoxyphenyl)-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | A0070508 |
| Compound Name: | N-{[4-(2-methoxyphenyl)-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-methyl-3-nitrobenzamide |
| Molecular Weight: | 681.79 |
| Molecular Formula: | C34 H31 N7 O5 S2 |
| Smiles: | Cc1ccc(cc1)C1CC(c2cccs2)=NN1C(CSc1nnc(CNC(c2cccc(c2C)[N+]([O-])=O)=O)n1c1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2284 |
| logD: | 6.2282 |
| logSw: | -5.6434 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 118.422 |
| InChI Key: | WYRODPJAZIXVGM-MUUNZHRXSA-N |