N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D489-0985 |
| Compound Name: | N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 435.57 |
| Molecular Formula: | C22 H21 N5 O S2 |
| Smiles: | Cc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(Nc1nc(C)c(C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0424 |
| logD: | 4.9865 |
| logSw: | -4.6504 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.485 |
| InChI Key: | ZAVWPEZZPCKPGM-UHFFFAOYSA-N |