1-(4-nitrophenyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Chemical Structure Depiction of
1-(4-nitrophenyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
1-(4-nitrophenyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Compound characteristics
| Compound ID: | D021-0168 |
| Compound Name: | 1-(4-nitrophenyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile |
| Molecular Weight: | 359.3 |
| Molecular Formula: | C18 H9 N5 O4 |
| Smiles: | C1C=CN2C(C=1)=NC1=C(C=C(C#N)C(N1c1ccc(cc1)[N+]([O-])=O)=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 1.4062 |
| logD: | 1.4062 |
| logSw: | -2.0132 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 90.4 |
| InChI Key: | BTYKHGHHKJMHFJ-UHFFFAOYSA-N |