ethyl 2-{[5-(furan-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
ethyl 2-{[5-(furan-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
ethyl 2-{[5-(furan-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | V015-0344 |
| Compound Name: | ethyl 2-{[5-(furan-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 357.43 |
| Molecular Formula: | C18 H19 N3 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C(C)Sc1nnc(c2ccco2)n1c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9365 |
| logD: | 3.9364 |
| logSw: | -3.8388 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.316 |
| InChI Key: | PUPGNAWJYJWCOS-ZDUSSCGKSA-N |