(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3,4,5-trimethoxybenzoate
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-trimethoxybenzoate
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | G265-0664 |
| Compound Name: | (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 430.48 |
| Molecular Formula: | C21 H22 N2 O6 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(=O)OCC1=CC(N2C3CCCCC=3SC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.517 |
| logD: | 2.517 |
| logSw: | -2.7441 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.21 |
| InChI Key: | ILYCAXLXJDQZPU-UHFFFAOYSA-N |