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 |