N-[(4-ethylphenyl)methyl]-8-methoxy-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Chemical Structure Depiction of
N-[(4-ethylphenyl)methyl]-8-methoxy-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
N-[(4-ethylphenyl)methyl]-8-methoxy-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Compound characteristics
| Compound ID: | C797-1091 |
| Compound Name: | N-[(4-ethylphenyl)methyl]-8-methoxy-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide |
| Molecular Weight: | 393.46 |
| Molecular Formula: | C21 H19 N3 O3 S |
| Smiles: | CCc1ccc(CNC(C2=CN=C3N(C2=O)c2ccc(cc2S3)OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1622 |
| logD: | 3.13 |
| logSw: | -3.4811 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.978 |
| InChI Key: | NOQHXGHSZHYLAQ-UHFFFAOYSA-N |