methyl 4-{2-[(6-{2-[(pyridin-2-yl)sulfanyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(6-{2-[(pyridin-2-yl)sulfanyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(6-{2-[(pyridin-2-yl)sulfanyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | K615-0032 |
| Compound Name: | methyl 4-{2-[(6-{2-[(pyridin-2-yl)sulfanyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 524.64 |
| Molecular Formula: | C24 H20 N4 O4 S3 |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nc2ccc(cc2s1)NC(CSc1ccccn1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6566 |
| logD: | 4.6565 |
| logSw: | -4.4725 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.658 |
| InChI Key: | WMRKSFWMZGGQBT-UHFFFAOYSA-N |