4-tert-butyl-N-(4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
Chemical Structure Depiction of
4-tert-butyl-N-(4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
4-tert-butyl-N-(4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
Compound characteristics
| Compound ID: | 8101-0104 |
| Compound Name: | 4-tert-butyl-N-(4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide |
| Molecular Weight: | 377.46 |
| Molecular Formula: | C21 H19 N3 O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(NC1=CN=C2N(C1=O)c1ccccc1S2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9535 |
| logD: | 3.9266 |
| logSw: | -4.03 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.076 |
| InChI Key: | LXEAWHWRHYIQJT-UHFFFAOYSA-N |