4,7-dioxo-2-[(prop-2-en-1-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Chemical Structure Depiction of
4,7-dioxo-2-[(prop-2-en-1-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
4,7-dioxo-2-[(prop-2-en-1-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | J023-0162 |
| Compound Name: | 4,7-dioxo-2-[(prop-2-en-1-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide |
| Molecular Weight: | 424.4 |
| Molecular Formula: | C18 H15 F3 N4 O3 S |
| Smiles: | C=CCSC1NC(C2C(CC(NC=2N=1)=O)C(Nc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1148 |
| logD: | 2.1053 |
| logSw: | -3.0934 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.503 |
| InChI Key: | WDZUVVYGSXZCGY-NSHDSACASA-N |