N-(8-tert-butyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)-4-fluorobenzamide
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-fluorobenzamide
N-(8-tert-butyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)-4-fluorobenzamide
Compound characteristics
| Compound ID: | 8629-0032 |
| Compound Name: | N-(8-tert-butyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)-4-fluorobenzamide |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C21 H22 F N3 O2 S |
| Smiles: | CC(C)(C)C1CCC2=C(C1)SC1=NC=C(C(N12)=O)NC(c1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8017 |
| logD: | 2.7138 |
| logSw: | -3.9394 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.678 |
| InChI Key: | FPGYQKVBOLPMHN-CYBMUJFWSA-N |