ethyl N-(6-butoxy-1,3-benzothiazol-2-yl)-3,3,3-trifluoro-2-pentanamidoalaninate
Chemical Structure Depiction of
ethyl N-(6-butoxy-1,3-benzothiazol-2-yl)-3,3,3-trifluoro-2-pentanamidoalaninate
ethyl N-(6-butoxy-1,3-benzothiazol-2-yl)-3,3,3-trifluoro-2-pentanamidoalaninate
Compound characteristics
| Compound ID: | 8013-7588 |
| Compound Name: | ethyl N-(6-butoxy-1,3-benzothiazol-2-yl)-3,3,3-trifluoro-2-pentanamidoalaninate |
| Molecular Weight: | 475.53 |
| Molecular Formula: | C21 H28 F3 N3 O4 S |
| Smiles: | CCCCC(NC(C(=O)OCC)(C(F)(F)F)Nc1nc2ccc(cc2s1)OCCCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1131 |
| logD: | 5.768 |
| logSw: | -5.3233 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.518 |
| InChI Key: | HAVGMSGQNGLWNJ-HXUWFJFHSA-N |