methyl 2-{2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | Y510-4463 |
| Compound Name: | methyl 2-{2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 392.88 |
| Molecular Formula: | C17 H13 Cl N2 O3 S2 |
| Smiles: | COC(c1ccccc1NC(CSc1nc2cc(ccc2s1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5493 |
| logD: | 4.5364 |
| logSw: | -4.6809 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.674 |
| InChI Key: | BLKAIPLZVZZTRT-UHFFFAOYSA-N |