2-{[2-(furan-2-yl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}propanoic acid
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}propanoic acid
2-{[2-(furan-2-yl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}propanoic acid
Compound characteristics
| Compound ID: | C610-0425 |
| 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}propanoic acid |
| Molecular Weight: | 362.36 |
| Molecular Formula: | C15 H14 N4 O5 S |
| Smiles: | CC(C(O)=O)Sc1c2C(N(C)C(N(C)c2nc(c2ccco2)n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7671 |
| logD: | -1.4605 |
| logSw: | -2.1639 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.042 |
| InChI Key: | GVQZJYHVXXVDTE-ZETCQYMHSA-N |