methyl 2-{[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
methyl 2-{[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
methyl 2-{[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | V015-0420 |
| Compound Name: | methyl 2-{[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 347.37 |
| Molecular Formula: | C16 H14 F N3 O3 S |
| Salt: | not_available |
| Smiles: | CC(C(=O)OC)Sc1nnc(c2ccco2)n1c1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1012 |
| logD: | 3.101 |
| logSw: | -3.2494 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.736 |
| InChI Key: | PUBFDKMCCDFQHI-JTQLQIEISA-N |