2-methyl-5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}furan-3-carboxylic acid
Chemical Structure Depiction of
2-methyl-5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}furan-3-carboxylic acid
2-methyl-5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}furan-3-carboxylic acid
Compound characteristics
| Compound ID: | 8008-9698 |
| Compound Name: | 2-methyl-5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}furan-3-carboxylic acid |
| Molecular Weight: | 329.38 |
| Molecular Formula: | C16 H15 N3 O3 S |
| Smiles: | Cc1c(cc(CSc2nnc(c3ccccc3)n2C)o1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2035 |
| logD: | 1.0482 |
| logSw: | -3.3686 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.955 |
| InChI Key: | DCZQLWZLLDUCSJ-UHFFFAOYSA-N |