N-[4-chloro-2-(trifluoromethyl)phenyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Chemical Structure Depiction of
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Compound characteristics
| Compound ID: | D358-0545 |
| Compound Name: | N-[4-chloro-2-(trifluoromethyl)phenyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide |
| Molecular Weight: | 427.83 |
| Molecular Formula: | C18 H13 Cl F3 N3 O2 S |
| Smiles: | C1CCC2=C(C1)N1C(=NC=C(C(Nc3ccc(cc3C(F)(F)F)[Cl])=O)C1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 3.8155 |
| logD: | 2.2485 |
| logSw: | -4.482 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.017 |
| InChI Key: | NRAJVQJSRGUHSP-UHFFFAOYSA-N |