ethyl 2-{[2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}propanoate
Chemical Structure Depiction of
ethyl 2-{[2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}propanoate
ethyl 2-{[2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | C610-0250 |
| Compound Name: | ethyl 2-{[2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}propanoate |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C19 H19 F N4 O4 S |
| Smiles: | CCOC(C(C)Sc1c2C(N(C)C(N(C)c2nc(c2ccc(cc2)F)n1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3866 |
| logD: | 4.3866 |
| logSw: | -4.4693 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.809 |
| InChI Key: | YEFKIBDPQANXMA-JTQLQIEISA-N |