N-(8-tert-butyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
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)benzamide
N-(8-tert-butyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
Compound characteristics
| Compound ID: | 8629-0029 |
| Compound Name: | N-(8-tert-butyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C21 H23 N3 O2 S |
| Smiles: | CC(C)(C)C1CCC2=C(C1)SC1=NC=C(C(N12)=O)NC(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6675 |
| logD: | 3.3072 |
| logSw: | -3.8172 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.678 |
| InChI Key: | HVTVYFBICVFFSJ-CQSZACIVSA-N |