methyl 4-[1-methyl-2-(methylsulfanyl)-4,7-dioxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl]benzoate
Chemical Structure Depiction of
methyl 4-[1-methyl-2-(methylsulfanyl)-4,7-dioxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl]benzoate
methyl 4-[1-methyl-2-(methylsulfanyl)-4,7-dioxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl]benzoate
Compound characteristics
| Compound ID: | D271-0531 |
| Compound Name: | methyl 4-[1-methyl-2-(methylsulfanyl)-4,7-dioxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl]benzoate |
| Molecular Weight: | 359.4 |
| Molecular Formula: | C17 H17 N3 O4 S |
| Smiles: | CN1C2=C(C(CC(N2)=O)c2ccc(cc2)C(=O)OC)C(N=C1SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3225 |
| logD: | 1.1556 |
| logSw: | -2.2055 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.527 |
| InChI Key: | GFUPPYPOLQLJFJ-NSHDSACASA-N |