methyl (3-benzyl-8,8-dimethyl-2,4-dioxo-3,4,8,9-tetrahydro-2H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-1(6H)-yl)acetate
Chemical Structure Depiction of
methyl (3-benzyl-8,8-dimethyl-2,4-dioxo-3,4,8,9-tetrahydro-2H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-1(6H)-yl)acetate
methyl (3-benzyl-8,8-dimethyl-2,4-dioxo-3,4,8,9-tetrahydro-2H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-1(6H)-yl)acetate
Compound characteristics
| Compound ID: | D449-0049 |
| Compound Name: | methyl (3-benzyl-8,8-dimethyl-2,4-dioxo-3,4,8,9-tetrahydro-2H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-1(6H)-yl)acetate |
| Molecular Weight: | 409.44 |
| Molecular Formula: | C22 H23 N3 O5 |
| Smiles: | CC1(C)Cc2c(CO1)cc1C(N(Cc3ccccc3)C(N(CC(=O)OC)c1n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2084 |
| logD: | 3.2081 |
| logSw: | -3.3273 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.134 |
| InChI Key: | SGLKTWGWUYAXBY-UHFFFAOYSA-N |