ethyl 2-{2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]acetamido}-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]acetamido}-1,3-thiazole-5-carboxylate
ethyl 2-{2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]acetamido}-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | 6531-0008 |
| Compound Name: | ethyl 2-{2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]acetamido}-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C16 H13 N5 O3 S3 |
| Smiles: | CCOC(c1cnc(NC(CSc2nnc3n2c2ccccc2s3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5164 |
| logD: | 3.5129 |
| logSw: | -3.4663 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.778 |
| InChI Key: | CMAIWBVBAFEHBQ-UHFFFAOYSA-N |