methyl N-(1,3-benzothiazol-2-yl)-3,3,3-trifluoro-2-(3-methylbutanamido)alaninate
Chemical Structure Depiction of
methyl N-(1,3-benzothiazol-2-yl)-3,3,3-trifluoro-2-(3-methylbutanamido)alaninate
methyl N-(1,3-benzothiazol-2-yl)-3,3,3-trifluoro-2-(3-methylbutanamido)alaninate
Compound characteristics
| Compound ID: | 8602-0288 |
| Compound Name: | methyl N-(1,3-benzothiazol-2-yl)-3,3,3-trifluoro-2-(3-methylbutanamido)alaninate |
| Molecular Weight: | 389.39 |
| Molecular Formula: | C16 H18 F3 N3 O3 S |
| Smiles: | CC(C)CC(NC(C(=O)OC)(C(F)(F)F)Nc1nc2ccccc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2932 |
| logD: | 3.8301 |
| logSw: | -4.2719 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.52 |
| InChI Key: | IACOTOHRRAUKMA-OAHLLOKOSA-N |