1-(4-ethoxy-2-nitrophenyl)-8-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Chemical Structure Depiction of
1-(4-ethoxy-2-nitrophenyl)-8-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
1-(4-ethoxy-2-nitrophenyl)-8-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Compound characteristics
| Compound ID: | D021-0046 |
| Compound Name: | 1-(4-ethoxy-2-nitrophenyl)-8-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile |
| Molecular Weight: | 417.38 |
| Molecular Formula: | C21 H15 N5 O5 |
| Smiles: | CCOc1ccc(c(c1)[N+]([O-])=O)N1C2=C(C=C(C#N)C1=O)C(N1C=C(C)C=CC1=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.325 |
| logD: | 2.325 |
| logSw: | -2.6227 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 97.441 |
| InChI Key: | DGMGCFUJWMVZLB-UHFFFAOYSA-N |