methyl 1,3-dimethyl-5-(4-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-7-carboxylate
Chemical Structure Depiction of
methyl 1,3-dimethyl-5-(4-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-7-carboxylate
methyl 1,3-dimethyl-5-(4-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-7-carboxylate
Compound characteristics
Compound ID: | D029-0008 |
Compound Name: | methyl 1,3-dimethyl-5-(4-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-7-carboxylate |
Molecular Weight: | 370.32 |
Molecular Formula: | C17 H14 N4 O6 |
Smiles: | CN1C(c2c(cc(C(=O)OC)nc2N(C)C1=O)c1ccc(cc1)[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 2.8503 |
logD: | 2.8503 |
logSw: | -3.5207 |
Hydrogen bond acceptors count: | 12 |
Polar surface area: | 95.524 |
InChI Key: | ASYWPBQSLHOVJB-UHFFFAOYSA-N |