methyl 4-{2-[(1,3-benzoxazol-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(1,3-benzoxazol-2-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(1,3-benzoxazol-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8006-7670 |
| Compound Name: | methyl 4-{2-[(1,3-benzoxazol-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 342.37 |
| Molecular Formula: | C17 H14 N2 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nc2ccccc2o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.756 |
| logD: | 3.7559 |
| logSw: | -4.0888 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.953 |
| InChI Key: | JQMQPVOEKCAICC-UHFFFAOYSA-N |