ethyl 2-{[2-(furan-2-yl)-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-(furan-2-yl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}butanoate
ethyl 2-{[2-(furan-2-yl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}butanoate
Compound characteristics
| Compound ID: | C610-0418 |
| Compound Name: | ethyl 2-{[2-(furan-2-yl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}butanoate |
| Molecular Weight: | 404.44 |
| Molecular Formula: | C18 H20 N4 O5 S |
| Smiles: | CCC(C(=O)OCC)Sc1c2C(N(C)C(N(C)c2nc(c2ccco2)n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.475 |
| logD: | 3.475 |
| logSw: | -3.7829 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.387 |
| InChI Key: | WKNNIAABLLTOKC-NSHDSACASA-N |