methyl 2-{[6,8-dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}propanoate
Chemical Structure Depiction of
methyl 2-{[6,8-dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}propanoate
methyl 2-{[6,8-dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | C610-0342 |
| Compound Name: | methyl 2-{[6,8-dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}propanoate |
| Molecular Weight: | 431.43 |
| Molecular Formula: | C18 H17 N5 O6 S |
| Smiles: | CC(C(=O)OC)Sc1c2C(N(C)C(N(C)c2nc(c2ccc(cc2)[N+]([O-])=O)n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8421 |
| logD: | 3.8421 |
| logSw: | -4.3681 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 105.611 |
| InChI Key: | XMQKDNMMEQQLFB-VIFPVBQESA-N |