N-(2,6-diethylphenyl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Chemical Structure Depiction of
N-(2,6-diethylphenyl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
N-(2,6-diethylphenyl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Compound characteristics
| Compound ID: | D358-0542 |
| Compound Name: | N-(2,6-diethylphenyl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C21 H23 N3 O2 S |
| Smiles: | CCc1cccc(CC)c1NC(C1=CN=C2N(C3CCCCC=3S2)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2371 |
| logD: | 3.1853 |
| logSw: | -3.3221 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.319 |
| InChI Key: | FIUUIYKCOVHRCD-UHFFFAOYSA-N |