methyl 2-acetamido-N-(6-bromo-1,3-benzothiazol-2-yl)-3,3,3-trifluoroalaninate
Chemical Structure Depiction of
methyl 2-acetamido-N-(6-bromo-1,3-benzothiazol-2-yl)-3,3,3-trifluoroalaninate
methyl 2-acetamido-N-(6-bromo-1,3-benzothiazol-2-yl)-3,3,3-trifluoroalaninate
Compound characteristics
| Compound ID: | 8013-7706 |
| Compound Name: | methyl 2-acetamido-N-(6-bromo-1,3-benzothiazol-2-yl)-3,3,3-trifluoroalaninate |
| Molecular Weight: | 426.21 |
| Molecular Formula: | C13 H11 Br F3 N3 O3 S |
| Smiles: | CC(NC(C(=O)OC)(C(F)(F)F)Nc1nc2ccc(cc2s1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5974 |
| logD: | 3.4412 |
| logSw: | -3.871 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.633 |
| InChI Key: | PKHMOWAMNDDRME-GFCCVEGCSA-N |