2-{[5-(4-chlorophenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-chlorophenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide
2-{[5-(4-chlorophenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide
Compound characteristics
| Compound ID: | G856-7856 |
| Compound Name: | 2-{[5-(4-chlorophenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide |
| Molecular Weight: | 453.95 |
| Molecular Formula: | C22 H20 Cl N5 O2 S |
| Smiles: | Cc1ccc(c(c1)NC(CSc1nnc(c2ccc(cc2)[Cl])n1n1cccc1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.3926 |
| logD: | 4.3926 |
| logSw: | -4.6431 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.229 |
| InChI Key: | XKVBJAHYEPDJEF-UHFFFAOYSA-N |