N-(3-chloro-4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
N-(3-chloro-4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Compound characteristics
| Compound ID: | D358-0482 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide |
| Molecular Weight: | 377.82 |
| Molecular Formula: | C17 H13 Cl F N3 O2 S |
| Smiles: | C1CCC2=C(C1)N1C(=NC=C(C(Nc3ccc(c(c3)[Cl])F)=O)C1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 3.0428 |
| logD: | -0.1529 |
| logSw: | -3.5959 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.715 |
| InChI Key: | KAQZMCIJIRPQPJ-UHFFFAOYSA-N |