4-{2-[(9H-thioxanthen-9-yl)sulfanyl]acetamido}benzoic acid
Chemical Structure Depiction of
4-{2-[(9H-thioxanthen-9-yl)sulfanyl]acetamido}benzoic acid
4-{2-[(9H-thioxanthen-9-yl)sulfanyl]acetamido}benzoic acid
Compound characteristics
| Compound ID: | 7081-0006 |
| Compound Name: | 4-{2-[(9H-thioxanthen-9-yl)sulfanyl]acetamido}benzoic acid |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C22 H17 N O3 S2 |
| Smiles: | C(C(Nc1ccc(cc1)C(O)=O)=O)SC1c2ccccc2Sc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 5.1904 |
| logD: | 2.7952 |
| logSw: | -5.2087 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.173 |
| InChI Key: | AUOWHFKENORQMN-UHFFFAOYSA-N |