2-{[2-(furan-2-yl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[2-(furan-2-yl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
2-{[2-(furan-2-yl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C610-0385 |
| Compound Name: | 2-{[2-(furan-2-yl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 491.45 |
| Molecular Formula: | C21 H16 F3 N5 O4 S |
| Smiles: | CN1C(c2c(nc(c3ccco3)nc2SCC(Nc2cccc(c2)C(F)(F)F)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.215 |
| logD: | 4.2146 |
| logSw: | -4.4571 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.512 |
| InChI Key: | DZZMMQAFFAPNQU-UHFFFAOYSA-N |