methyl 2-{[5-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
methyl 2-{[5-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
methyl 2-{[5-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | V009-8410 |
| Compound Name: | methyl 2-{[5-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C21 H23 N3 O4 S |
| Salt: | not_available |
| Smiles: | CC(C(=O)OC)Sc1nnc(c2ccc(c(c2)OC)OC)n1c1ccc(C)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1684 |
| logD: | 4.1684 |
| logSw: | -4.3031 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.419 |
| InChI Key: | KYXBROLVBPPKQH-AWEZNQCLSA-N |