N-(2,6-dimethylphenyl)-2-{[5-(2-methoxyphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,6-dimethylphenyl)-2-{[5-(2-methoxyphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2,6-dimethylphenyl)-2-{[5-(2-methoxyphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7903 |
| Compound Name: | N-(2,6-dimethylphenyl)-2-{[5-(2-methoxyphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C23 H23 N5 O2 S |
| Smiles: | Cc1cccc(C)c1NC(CSc1nnc(c2ccccc2OC)n1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7448 |
| logD: | 3.7448 |
| logSw: | -4.0177 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.531 |
| InChI Key: | RVYYJBUROZBAQA-UHFFFAOYSA-N |