ethyl {[5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
ethyl {[5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V011-4833 |
| Compound Name: | ethyl {[5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C21 H23 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(CSc1nnc(c2cc(cc(c2)OC)OC)n1c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3891 |
| logD: | 4.3891 |
| logSw: | -4.2725 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.23 |
| InChI Key: | CVLXMUQYVVZGBL-UHFFFAOYSA-N |