N-(3-chloro-4-methoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-chloro-4-methoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8012-9090 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 415.9 |
| Molecular Formula: | C19 H18 Cl N5 O2 S |
| Smiles: | COc1ccc(cc1[Cl])NC(CSc1nnc(c2cccnc2)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0712 |
| logD: | 3.0585 |
| logSw: | -3.5764 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.517 |
| InChI Key: | GHIHAZNGOOLLCA-UHFFFAOYSA-N |