(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-fluorobenzoate
Chemical Structure Depiction of
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-fluorobenzoate
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-fluorobenzoate
Compound characteristics
| Compound ID: | G265-0668 |
| Compound Name: | (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-fluorobenzoate |
| Molecular Weight: | 358.39 |
| Molecular Formula: | C18 H15 F N2 O3 S |
| Smiles: | C1CCC2=C(C1)N1C(=NC(COC(c3cccc(c3)F)=O)=CC1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 3.0882 |
| logD: | 3.0882 |
| logSw: | -3.3156 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.232 |
| InChI Key: | XTWJCSLPOVXRCI-UHFFFAOYSA-N |