2-{[2-(2-chlorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N,N-dimethyl-3-oxobutanamide
Chemical Structure Depiction of
2-{[2-(2-chlorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N,N-dimethyl-3-oxobutanamide
2-{[2-(2-chlorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N,N-dimethyl-3-oxobutanamide
Compound characteristics
| Compound ID: | G786-1849 |
| Compound Name: | 2-{[2-(2-chlorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N,N-dimethyl-3-oxobutanamide |
| Molecular Weight: | 461.93 |
| Molecular Formula: | C20 H20 Cl N5 O4 S |
| Smiles: | CC(C(C(N(C)C)=O)Sc1c2C(N(C)C(N(C)c2nc(c2ccccc2[Cl])n1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1446 |
| logD: | 2.102 |
| logSw: | -3.3195 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.883 |
| InChI Key: | PYQMMIZAKGURKK-AWEZNQCLSA-N |