2-{[5-(4-chlorophenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-chlorophenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
2-{[5-(4-chlorophenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | G856-7851 |
| Compound Name: | 2-{[5-(4-chlorophenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide |
| Molecular Weight: | 437.95 |
| Molecular Formula: | C22 H20 Cl N5 O S |
| Smiles: | Cc1cccc(C)c1NC(CSc1nnc(c2ccc(cc2)[Cl])n1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7404 |
| logD: | 4.7404 |
| logSw: | -4.9172 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.9 |
| InChI Key: | NAJJNVXNEBZXOE-UHFFFAOYSA-N |