(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3,4,5-triethoxybenzoate
Chemical Structure Depiction of
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3,4,5-triethoxybenzoate
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3,4,5-triethoxybenzoate
Compound characteristics
| Compound ID: | G265-0677 |
| Compound Name: | (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3,4,5-triethoxybenzoate |
| Molecular Weight: | 472.56 |
| Molecular Formula: | C24 H28 N2 O6 S |
| Smiles: | CCOc1cc(cc(c1OCC)OCC)C(=O)OCC1=CC(N2C3CCCCC=3SC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4759 |
| logD: | 3.4759 |
| logSw: | -3.7091 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.95 |
| InChI Key: | CBTADKJFLVQFBJ-UHFFFAOYSA-N |