ethyl 4-{[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Chemical Structure Depiction of
ethyl 4-{[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
ethyl 4-{[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Compound characteristics
| Compound ID: | V002-7797 |
| Compound Name: | ethyl 4-{[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C22 H25 N3 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(CCCSc1nnc(c2ccc(cc2)OC)n1c1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7679 |
| logD: | 4.7679 |
| logSw: | -4.3577 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.386 |
| InChI Key: | MFJTUOVURDCVDU-UHFFFAOYSA-N |