(2S)-3-methyl-2-(1H-pyrrol-1-yl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]butanamide
Chemical Structure Depiction of
(2S)-3-methyl-2-(1H-pyrrol-1-yl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]butanamide
(2S)-3-methyl-2-(1H-pyrrol-1-yl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]butanamide
Compound characteristics
| Compound ID: | Y044-4906 |
| Compound Name: | (2S)-3-methyl-2-(1H-pyrrol-1-yl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]butanamide |
| Molecular Weight: | 383.39 |
| Molecular Formula: | C17 H16 F3 N3 O2 S |
| Smiles: | CC(C)[C@@H](C(Nc1nc2ccc(cc2s1)OC(F)(F)F)=O)n1cccc1 |
| Stereo: | ABSOLUTE |
| logP: | 5.4746 |
| logD: | 5.4743 |
| logSw: | -5.4103 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.858 |
| InChI Key: | YGUQQTRXBKWQGO-AWEZNQCLSA-N |