N-(3-methoxyphenyl)-2-{[5-(4-methylphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-methoxyphenyl)-2-{[5-(4-methylphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-methoxyphenyl)-2-{[5-(4-methylphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7786 |
| Compound Name: | N-(3-methoxyphenyl)-2-{[5-(4-methylphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C22 H21 N5 O2 S |
| Smiles: | Cc1ccc(cc1)c1nnc(n1n1cccc1)SCC(Nc1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4508 |
| logD: | 4.4508 |
| logSw: | -4.3251 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.84 |
| InChI Key: | YJKWAZOQERWCCD-UHFFFAOYSA-N |