1-(4-ethylphenyl)-2-{[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-ethylphenyl)-2-{[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-ethylphenyl)-2-{[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8008-4741 |
| Compound Name: | 1-(4-ethylphenyl)-2-{[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 393.51 |
| Molecular Formula: | C22 H23 N3 O2 S |
| Smiles: | CCc1ccc(cc1)C(CSc1nnc(c2cccc(c2)OC)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1595 |
| logD: | 5.1595 |
| logSw: | -5.0207 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.01 |
| InChI Key: | NJGMYTUITHIAAL-UHFFFAOYSA-N |