4-({[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid
Chemical Structure Depiction of
4-({[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid
4-({[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid
Compound characteristics
| Compound ID: | 8008-5044 |
| Compound Name: | 4-({[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid |
| Molecular Weight: | 377.42 |
| Molecular Formula: | C20 H15 N3 O3 S |
| Smiles: | C(c1ccc(cc1)C(O)=O)Sc1nnc(c2ccco2)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7882 |
| logD: | 0.8167 |
| logSw: | -4.0416 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.699 |
| InChI Key: | UMXFDHSVLMOSNM-UHFFFAOYSA-N |