N-(3,4-dimethylphenyl)-2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3,4-dimethylphenyl)-2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y206-0498 |
| Compound Name: | N-(3,4-dimethylphenyl)-2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 367.47 |
| Molecular Formula: | C19 H21 N5 O S |
| Smiles: | CCn1c(c2cccnc2)nnc1SCC(Nc1ccc(C)c(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3363 |
| logD: | 3.3195 |
| logSw: | -3.2526 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.633 |
| InChI Key: | NPWOPKFPVZZWPQ-UHFFFAOYSA-N |