(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3,4-dimethoxybenzoate
Chemical Structure Depiction of
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3,4-dimethoxybenzoate
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3,4-dimethoxybenzoate
Compound characteristics
| Compound ID: | G265-0662 |
| Compound Name: | (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3,4-dimethoxybenzoate |
| Molecular Weight: | 400.45 |
| Molecular Formula: | C20 H20 N2 O5 S |
| Smiles: | COc1ccc(cc1OC)C(=O)OCC1=CC(N2C3CCCCC=3SC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5897 |
| logD: | 2.5897 |
| logSw: | -2.8739 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.493 |
| InChI Key: | SUEJBGRPQBIIFQ-UHFFFAOYSA-N |