ethyl 2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
ethyl 2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
ethyl 2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | V008-9907 |
| Compound Name: | ethyl 2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C21 H23 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(C(C)Sc1nnc(c2cc(cc(c2)OC)OC)n1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4092 |
| logD: | 4.4091 |
| logSw: | -4.293 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.825 |
| InChI Key: | ZAIMWAXKRITUCH-AWEZNQCLSA-N |