ethyl 2-{[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
ethyl 2-{[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
ethyl 2-{[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | V008-3990 |
| Compound Name: | ethyl 2-{[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 371.43 |
| Molecular Formula: | C19 H18 F N3 O2 S |
| Salt: | not_available |
| Smiles: | CCOC(C(C)Sc1nnc(c2ccc(cc2)F)n1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4712 |
| logD: | 4.4711 |
| logSw: | -4.2512 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.738 |
| InChI Key: | QXKNVQFYVFKKKJ-ZDUSSCGKSA-N |