N-(8-tert-butyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)-4-chlorobenzamide
Chemical Structure Depiction of
N-(8-tert-butyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)-4-chlorobenzamide
N-(8-tert-butyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)-4-chlorobenzamide
Compound characteristics
| Compound ID: | 8629-0031 |
| Compound Name: | N-(8-tert-butyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)-4-chlorobenzamide |
| Molecular Weight: | 415.94 |
| Molecular Formula: | C21 H22 Cl N3 O2 S |
| Smiles: | CC(C)(C)C1CCC2=C(C1)SC1=NC=C(C(N12)=O)NC(c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3673 |
| logD: | 3.2795 |
| logSw: | -4.6137 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.678 |
| InChI Key: | ANMMJPOTDWKFJY-CYBMUJFWSA-N |