methyl 2-sulfanyl-1,3-benzoxazole-5-carboxylate
Chemical Structure Depiction of
methyl 2-sulfanyl-1,3-benzoxazole-5-carboxylate
methyl 2-sulfanyl-1,3-benzoxazole-5-carboxylate
Compound characteristics
| Compound ID: | 8018-5507 |
| Compound Name: | methyl 2-sulfanyl-1,3-benzoxazole-5-carboxylate |
| Molecular Weight: | 209.22 |
| Molecular Formula: | C9 H7 N O3 S |
| Smiles: | COC(c1ccc2c(c1)nc(o2)S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1597 |
| logD: | 2.1421 |
| logSw: | -2.5879 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.37 |
| InChI Key: | JMJGRFGKJKXVPP-UHFFFAOYSA-N |