N-(8-tert-butyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)-3-methylbenzamide
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)-3-methylbenzamide
N-(8-tert-butyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)-3-methylbenzamide
Compound characteristics
| Compound ID: | 8629-0037 |
| Compound Name: | N-(8-tert-butyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)-3-methylbenzamide |
| Molecular Weight: | 395.52 |
| Molecular Formula: | C22 H25 N3 O2 S |
| Smiles: | Cc1cccc(c1)C(NC1=CN=C2N(C3CCC(CC=3S2)C(C)(C)C)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1436 |
| logD: | 3.4064 |
| logSw: | -4.2361 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.678 |
| InChI Key: | ZOJFDAALGNEODQ-OAHLLOKOSA-N |