methyl 4-({[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
methyl 4-({[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Compound characteristics
Compound ID: | 8014-3084 |
Compound Name: | methyl 4-({[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate |
Molecular Weight: | 391.45 |
Molecular Formula: | C21 H17 N3 O3 S |
Smiles: | COC(c1ccc(CSc2nnc(c3ccco3)n2c2ccccc2)cc1)=O |
Stereo: | ACHIRAL |
logP: | 4.0307 |
logD: | 4.0307 |
logSw: | -4.2245 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 54.465 |
InChI Key: | NWFJQNHXVXVASS-UHFFFAOYSA-N |