4-tert-butyl-N-(8-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
Chemical Structure Depiction of
4-tert-butyl-N-(8-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
4-tert-butyl-N-(8-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
Compound characteristics
| Compound ID: | 8101-0082 |
| Compound Name: | 4-tert-butyl-N-(8-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C22 H21 N3 O2 S |
| Smiles: | Cc1ccc2c(c1)SC1=NC=C(C(N12)=O)NC(c1ccc(cc1)C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5375 |
| logD: | 4.5106 |
| logSw: | -4.2731 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.076 |
| InChI Key: | PBQDRBWKNBLCNK-UHFFFAOYSA-N |