methyl 4-oxo-4-{[2-(trifluoromethyl)benzimidazo[2,1-b][1,3]benzothiazol-4-yl]amino}butanoate
Chemical Structure Depiction of
methyl 4-oxo-4-{[2-(trifluoromethyl)benzimidazo[2,1-b][1,3]benzothiazol-4-yl]amino}butanoate
methyl 4-oxo-4-{[2-(trifluoromethyl)benzimidazo[2,1-b][1,3]benzothiazol-4-yl]amino}butanoate
Compound characteristics
| Compound ID: | 8017-6388 |
| Compound Name: | methyl 4-oxo-4-{[2-(trifluoromethyl)benzimidazo[2,1-b][1,3]benzothiazol-4-yl]amino}butanoate |
| Molecular Weight: | 421.4 |
| Molecular Formula: | C19 H14 F3 N3 O3 S |
| Smiles: | COC(CCC(Nc1cc(cc2c1sc1nc3ccccc3n12)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0043 |
| logD: | 3.999 |
| logSw: | -4.2734 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.263 |
| InChI Key: | WFTMISDBVJREOZ-UHFFFAOYSA-N |