4-{2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetamido}benzoic acid
Chemical Structure Depiction of
4-{2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetamido}benzoic acid
4-{2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetamido}benzoic acid
Compound characteristics
| Compound ID: | 8019-0564 |
| Compound Name: | 4-{2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetamido}benzoic acid |
| Molecular Weight: | 362.79 |
| Molecular Formula: | C16 H11 Cl N2 O4 S |
| Smiles: | C(C(Nc1ccc(cc1)C(O)=O)=O)Sc1nc2cc(ccc2o1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.9489 |
| logD: | 1.5537 |
| logSw: | -4.2476 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.188 |
| InChI Key: | MMHBAEZOYFGKCQ-UHFFFAOYSA-N |