N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(methylsulfanyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(methylsulfanyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(methylsulfanyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | J023-0024 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(methylsulfanyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide |
| Molecular Weight: | 432.81 |
| Molecular Formula: | C16 H12 Cl F3 N4 O3 S |
| Smiles: | CSC1NC(C2C(CC(NC=2N=1)=O)C(Nc1cc(ccc1[Cl])C(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9115 |
| logD: | 1.8575 |
| logSw: | -3.0009 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.805 |
| InChI Key: | AHCOIMUSEKHGPT-SSDOTTSWSA-N |