ethyl 4-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Chemical Structure Depiction of
ethyl 4-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
ethyl 4-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Compound characteristics
| Compound ID: | V019-6895 |
| Compound Name: | ethyl 4-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C22 H25 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(CCCSc1nnc(c2cc(cc(c2)OC)OC)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2719 |
| logD: | 4.2719 |
| logSw: | -4.2161 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.23 |
| InChI Key: | OZXBWHKRZCKODN-UHFFFAOYSA-N |