dimethyl 5-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
dimethyl 5-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | D358-0550 |
| Compound Name: | dimethyl 5-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carbonyl)amino]benzene-1,3-dicarboxylate |
| Molecular Weight: | 441.46 |
| Molecular Formula: | C21 H19 N3 O6 S |
| Smiles: | COC(c1cc(cc(c1)NC(C1=CN=C2N(C3CCCCC=3S2)C1=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8015 |
| logD: | 2.0507 |
| logSw: | -3.285 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.062 |
| InChI Key: | BUYQQVRURATTIA-UHFFFAOYSA-N |