ethyl {[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
ethyl {[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V007-6634 |
| Compound Name: | ethyl {[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 333.41 |
| Molecular Formula: | C16 H19 N3 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(CSc1nnc(c2ccc(cc2)OC)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2347 |
| logD: | 3.2347 |
| logSw: | -3.2827 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.193 |
| InChI Key: | LCRWWUGRFNJOCO-UHFFFAOYSA-N |