2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | G432-0312 |
| Compound Name: | 2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 453.5 |
| Molecular Formula: | C20 H18 F3 N3 O2 S2 |
| Smiles: | C1CCC2=C(C1)N1C(=NC(CSCC(Nc3cccc(c3)C(F)(F)F)=O)=CC1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 4.1712 |
| logD: | 4.1708 |
| logSw: | -4.355 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.253 |
| InChI Key: | FDWCQLLNLQXVFC-UHFFFAOYSA-N |