N-(2,5-dimethylphenyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,5-dimethylphenyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2,5-dimethylphenyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y206-0068 |
| Compound Name: | N-(2,5-dimethylphenyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 353.44 |
| Molecular Formula: | C18 H19 N5 O S |
| Smiles: | Cc1ccc(C)c(c1)NC(CSc1nnc(c2cccnc2)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7755 |
| logD: | 1.7415 |
| logSw: | -2.0283 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.02 |
| InChI Key: | OXNVGZVSVAGYKC-UHFFFAOYSA-N |