methyl 2-{[2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}butanoate
Chemical Structure Depiction of
methyl 2-{[2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}butanoate
methyl 2-{[2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}butanoate
Compound characteristics
| Compound ID: | C610-0252 |
| Compound Name: | methyl 2-{[2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}butanoate |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C19 H19 F N4 O4 S |
| Smiles: | CCC(C(=O)OC)Sc1c2C(N(C)C(N(C)c2nc(c2ccc(cc2)F)n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4626 |
| logD: | 4.4626 |
| logSw: | -4.5648 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.229 |
| InChI Key: | MZACGGATWUXOAJ-LBPRGKRZSA-N |