methyl 4-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8009-4573 |
| Compound Name: | methyl 4-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 358.44 |
| Molecular Formula: | C17 H14 N2 O3 S2 |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nc2ccccc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.29 |
| logD: | 4.2899 |
| logSw: | -4.3093 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.371 |
| InChI Key: | RDXCKBQOMQIWPL-UHFFFAOYSA-N |