4-tert-butyl-N-(8-chloro-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
Chemical Structure Depiction of
4-tert-butyl-N-(8-chloro-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
4-tert-butyl-N-(8-chloro-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
Compound characteristics
| Compound ID: | 8101-0081 |
| Compound Name: | 4-tert-butyl-N-(8-chloro-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide |
| Molecular Weight: | 411.91 |
| Molecular Formula: | C21 H18 Cl N3 O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(NC1=CN=C2N(C1=O)c1ccc(cc1S2)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5977 |
| logD: | 4.5709 |
| logSw: | -4.7034 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.076 |
| InChI Key: | DSYODJVHQNNOFR-UHFFFAOYSA-N |