2-{[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(thiophen-2-yl)ethan-1-one
2-{[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8011-4997 |
| Compound Name: | 2-{[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 371.48 |
| Molecular Formula: | C18 H17 N3 O2 S2 |
| Smiles: | COc1cccc(c1)c1nnc(n1CC=C)SCC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2313 |
| logD: | 4.2313 |
| logSw: | -4.46 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.028 |
| InChI Key: | UJQFXRIIFNMJQR-UHFFFAOYSA-N |