2-{[(5-formyl-2-methoxyphenyl)methyl]sulfanyl}pyridine-3-carboxylic acid
Chemical Structure Depiction of
2-{[(5-formyl-2-methoxyphenyl)methyl]sulfanyl}pyridine-3-carboxylic acid
2-{[(5-formyl-2-methoxyphenyl)methyl]sulfanyl}pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | R052-0595 |
| Compound Name: | 2-{[(5-formyl-2-methoxyphenyl)methyl]sulfanyl}pyridine-3-carboxylic acid |
| Molecular Weight: | 303.33 |
| Molecular Formula: | C15 H13 N O4 S |
| Smiles: | COc1ccc(C=O)cc1CSc1c(cccn1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4894 |
| logD: | 0.3912 |
| logSw: | -2.55 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.344 |
| InChI Key: | BFVCQFSXFVYHBP-UHFFFAOYSA-N |