1-(4-methyl-3-nitrophenyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Chemical Structure Depiction of
1-(4-methyl-3-nitrophenyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
1-(4-methyl-3-nitrophenyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Compound characteristics
| Compound ID: | D021-0128 |
| Compound Name: | 1-(4-methyl-3-nitrophenyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile |
| Molecular Weight: | 373.33 |
| Molecular Formula: | C19 H11 N5 O4 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)N1C2=C(C=C(C#N)C1=O)C(N1C=CC=CC1=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8968 |
| logD: | 1.8968 |
| logSw: | -2.3348 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 90.099 |
| InChI Key: | YOBFPFVJXTZGNH-UHFFFAOYSA-N |