N-(4-chlorophenyl)-2-{[5-(4-methoxyphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-{[5-(4-methoxyphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-chlorophenyl)-2-{[5-(4-methoxyphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8018-2442 |
| Compound Name: | N-(4-chlorophenyl)-2-{[5-(4-methoxyphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C21 H18 Cl N5 O2 S |
| Smiles: | COc1ccc(cc1)c1nnc(n1n1cccc1)SCC(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.538 |
| logD: | 4.5379 |
| logSw: | -4.7459 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.84 |
| InChI Key: | GYNCUBDVXXQFGA-UHFFFAOYSA-N |