ethyl 2-{[5-(furan-2-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
ethyl 2-{[5-(furan-2-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
ethyl 2-{[5-(furan-2-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | V001-8710 |
| Compound Name: | ethyl 2-{[5-(furan-2-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 373.43 |
| Molecular Formula: | C18 H19 N3 O4 S |
| Smiles: | CCOC(C(C)Sc1nnc(c2ccco2)n1c1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.29 |
| logD: | 3.287 |
| logSw: | -3.66 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.646 |
| InChI Key: | NKEAMHSGCYAJMZ-LBPRGKRZSA-N |