(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-methylbenzoate
Chemical Structure Depiction of
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-methylbenzoate
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-methylbenzoate
Compound characteristics
| Compound ID: | G265-0640 |
| Compound Name: | (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-methylbenzoate |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C19 H18 N2 O3 S |
| Smiles: | Cc1cccc(c1)C(=O)OCC1=CC(N2C3CCCCC=3SC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3365 |
| logD: | 3.3365 |
| logSw: | -3.506 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.232 |
| InChI Key: | DZCMQSXIEBYSMY-UHFFFAOYSA-N |