methyl 2-oxo-2H-pyrimido[2,1-b][1,3]benzothiazole-4-carboxylate
Chemical Structure Depiction of
methyl 2-oxo-2H-pyrimido[2,1-b][1,3]benzothiazole-4-carboxylate
methyl 2-oxo-2H-pyrimido[2,1-b][1,3]benzothiazole-4-carboxylate
Compound characteristics
| Compound ID: | 8013-5683 |
| Compound Name: | methyl 2-oxo-2H-pyrimido[2,1-b][1,3]benzothiazole-4-carboxylate |
| Molecular Weight: | 260.27 |
| Molecular Formula: | C12 H8 N2 O3 S |
| Smiles: | COC(C1=CC(N=C2N1c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4516 |
| logD: | 1.4516 |
| logSw: | -2.0311 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.382 |
| InChI Key: | PMMSVWGUTOEEIB-UHFFFAOYSA-N |