8-methyl-1-(2-methyl-5-nitrophenyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Chemical Structure Depiction of
8-methyl-1-(2-methyl-5-nitrophenyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
8-methyl-1-(2-methyl-5-nitrophenyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Compound characteristics
| Compound ID: | D021-0094 |
| Compound Name: | 8-methyl-1-(2-methyl-5-nitrophenyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile |
| Molecular Weight: | 387.35 |
| Molecular Formula: | C20 H13 N5 O4 |
| Smiles: | CC1C=CC2=NC3=C(C=C(C#N)C(N3c3cc(ccc3C)[N+]([O-])=O)=O)C(N2C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3561 |
| logD: | 2.3561 |
| logSw: | -2.5171 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 90.618 |
| InChI Key: | HSDOKUMAMOZVKH-UHFFFAOYSA-N |