2-(ethylsulfanyl)-4,7-dioxo-N-[3-(trifluoromethyl)phenyl]-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Chemical Structure Depiction of
2-(ethylsulfanyl)-4,7-dioxo-N-[3-(trifluoromethyl)phenyl]-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
2-(ethylsulfanyl)-4,7-dioxo-N-[3-(trifluoromethyl)phenyl]-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | J023-0046 |
| Compound Name: | 2-(ethylsulfanyl)-4,7-dioxo-N-[3-(trifluoromethyl)phenyl]-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide |
| Molecular Weight: | 412.39 |
| Molecular Formula: | C17 H15 F3 N4 O3 S |
| Smiles: | CCSC1NC(C2C(CC(NC=2N=1)=O)C(Nc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8699 |
| logD: | 1.8562 |
| logSw: | -2.7089 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.503 |
| InChI Key: | XPYWJOZJAGSOAU-JTQLQIEISA-N |