methyl N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,3,3-trifluoro-2-(3-methylbutanamido)alaninate
Chemical Structure Depiction of
methyl N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,3,3-trifluoro-2-(3-methylbutanamido)alaninate
methyl N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,3,3-trifluoro-2-(3-methylbutanamido)alaninate
Compound characteristics
| Compound ID: | 8602-0290 |
| Compound Name: | methyl N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,3,3-trifluoro-2-(3-methylbutanamido)alaninate |
| Molecular Weight: | 433.45 |
| Molecular Formula: | C18 H22 F3 N3 O4 S |
| Smiles: | CCOc1ccc2c(c1)sc(NC(C(=O)OC)(C(F)(F)F)NC(CC(C)C)=O)n2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7373 |
| logD: | 4.2742 |
| logSw: | -4.5093 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.644 |
| InChI Key: | NDTWSNGUYGCVNQ-QGZVFWFLSA-N |