N-(2-benzoyl-4-chlorophenyl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Chemical Structure Depiction of
N-(2-benzoyl-4-chlorophenyl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
N-(2-benzoyl-4-chlorophenyl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Compound characteristics
| Compound ID: | D358-0548 |
| Compound Name: | N-(2-benzoyl-4-chlorophenyl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide |
| Molecular Weight: | 463.94 |
| Molecular Formula: | C24 H18 Cl N3 O3 S |
| Smiles: | C1CCC2=C(C1)N1C(=NC=C(C(Nc3ccc(cc3C(c3ccccc3)=O)[Cl])=O)C1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 4.1155 |
| logD: | 1.1881 |
| logSw: | -4.5886 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.484 |
| InChI Key: | OITRHHVSKBYDPO-UHFFFAOYSA-N |