2-{[4-amino-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[4-amino-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
2-{[4-amino-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | IB07-6028 |
| Compound Name: | 2-{[4-amino-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide |
| Molecular Weight: | 387.89 |
| Molecular Formula: | C18 H18 Cl N5 O S |
| Smiles: | Cc1ccc(cc1C)NC(CSc1nnc(c2cccc(c2)[Cl])n1N)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2 |
| logD: | 4.2 |
| logSw: | -4.92 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 147.34 |
| InChI Key: | ZFIZHNFJWINWKZ-UHFFFAOYSA-N |