ethyl {[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
ethyl {[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V008-2753 |
| Compound Name: | ethyl {[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 403.89 |
| Molecular Formula: | C19 H18 Cl N3 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(CSc1nnc(c2ccccc2[Cl])n1c1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0072 |
| logD: | 4.0069 |
| logSw: | -4.3561 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.472 |
| InChI Key: | BPZOTBOEANUCQR-UHFFFAOYSA-N |