methyl 3-({[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 3-({[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
methyl 3-({[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | 8012-5859 |
| Compound Name: | methyl 3-({[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(c1cccc(CSc2nnc(c3ccco3)n2c2ccccc2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2024 |
| logD: | 4.2024 |
| logSw: | -4.4053 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.465 |
| InChI Key: | WPBWTLIGRHVFAF-UHFFFAOYSA-N |