2-{[2-(3-methoxyphenyl)-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-(3-methoxyphenyl)-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-(3-methoxyphenyl)-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: | G786-1863 |
| Compound Name: | 2-{[2-(3-methoxyphenyl)-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: | 457.51 |
| Molecular Formula: | C21 H23 N5 O5 S |
| Smiles: | CC(C(C(N(C)C)=O)Sc1c2C(N(C)C(N(C)c2nc(c2cccc(c2)OC)n1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6139 |
| logD: | 2.5713 |
| logSw: | -2.9276 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 88.426 |
| InChI Key: | WNIFYZKSBSFSFG-HNNXBMFYSA-N |