N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
Chemical Structure Depiction of
N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
Compound characteristics
| Compound ID: | A0070205 |
| Compound Name: | N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide |
| Molecular Weight: | 680.85 |
| Molecular Formula: | C36 H36 N6 O4 S2 |
| Smiles: | Cc1cccc(c1)C(NCc1nnc(n1c1cc(C)ccc1C)SCC(N1C(CC(c2cccs2)=N1)c1cccc(c1OC)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6772 |
| logD: | 6.6772 |
| logSw: | -5.602 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.059 |
| InChI Key: | AGIJUBJBEWLTJJ-GDLZYMKVSA-N |