ethyl 2-{[2-(4-methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}butanoate
Chemical Structure Depiction of
ethyl 2-{[2-(4-methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}butanoate
ethyl 2-{[2-(4-methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}butanoate
Compound characteristics
| Compound ID: | C610-0162 |
| Compound Name: | ethyl 2-{[2-(4-methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}butanoate |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C21 H24 N4 O5 S |
| Smiles: | CCC(C(=O)OCC)Sc1c2C(N(C)C(N(C)c2nc(c2ccc(cc2)OC)n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8385 |
| logD: | 4.8385 |
| logSw: | -4.7282 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.353 |
| InChI Key: | CFAGKETWUDHBQY-AWEZNQCLSA-N |