methyl 2-{[6,8-dimethyl-5,7-dioxo-2-(thiophen-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}propanoate
Chemical Structure Depiction of
methyl 2-{[6,8-dimethyl-5,7-dioxo-2-(thiophen-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}propanoate
methyl 2-{[6,8-dimethyl-5,7-dioxo-2-(thiophen-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | C610-0513 |
| Compound Name: | methyl 2-{[6,8-dimethyl-5,7-dioxo-2-(thiophen-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}propanoate |
| Molecular Weight: | 392.45 |
| Molecular Formula: | C16 H16 N4 O4 S2 |
| Smiles: | CC(C(=O)OC)Sc1c2C(N(C)C(N(C)c2nc(c2cccs2)n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3063 |
| logD: | 3.3063 |
| logSw: | -3.6506 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.248 |
| InChI Key: | NXACCDYWLCEXMY-QMMMGPOBSA-N |