N-(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-(4-methoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(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: | K822-0222 |
| Compound Name: | N-(4-methoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C19 H19 N5 O2 S |
| Smiles: | COc1ccc(cc1)NC(CSc1nnc(c2cccnc2)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.543 |
| logD: | 2.5305 |
| logSw: | -2.3609 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.43 |
| InChI Key: | OQUVDOSZNKUQCX-UHFFFAOYSA-N |