2-{2-[(2-methyl-9H-xanthen-9-yl)sulfanyl]acetamido}benzoic acid
Chemical Structure Depiction of
2-{2-[(2-methyl-9H-xanthen-9-yl)sulfanyl]acetamido}benzoic acid
2-{2-[(2-methyl-9H-xanthen-9-yl)sulfanyl]acetamido}benzoic acid
Compound characteristics
Compound ID: | 7081-0003 |
Compound Name: | 2-{2-[(2-methyl-9H-xanthen-9-yl)sulfanyl]acetamido}benzoic acid |
Molecular Weight: | 405.47 |
Molecular Formula: | C23 H19 N O4 S |
Smiles: | Cc1ccc2c(c1)C(c1ccccc1O2)SCC(Nc1ccccc1C(O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.3604 |
logD: | 0.9474 |
logSw: | -5.1131 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 57.64 |
InChI Key: | CQJXWRBBXYHNPO-QFIPXVFZSA-N |