N-(4-ethoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(quinolin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-ethoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(quinolin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-ethoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(quinolin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K822-0337 |
| Compound Name: | N-(4-ethoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(quinolin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C24 H23 N5 O2 S |
| Smiles: | CCOc1ccc(cc1)NC(CSc1nnc(c2ccc3ccccc3n2)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6597 |
| logD: | 4.6596 |
| logSw: | -5.1427 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.823 |
| InChI Key: | PWSXNRHBDAKCKM-UHFFFAOYSA-N |