methyl 3-({[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 3-({[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
methyl 3-({[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | V010-7640 |
| Compound Name: | methyl 3-({[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 409.44 |
| Molecular Formula: | C21 H16 F N3 O3 S |
| Salt: | not_available |
| Smiles: | COC(c1cccc(CSc2nnc(c3ccco3)n2c2ccc(cc2)F)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.353 |
| logD: | 4.353 |
| logSw: | -4.4641 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.465 |
| InChI Key: | CCWLRBJCNBOCBE-UHFFFAOYSA-N |