10-methyl-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
10-methyl-1-(4-methyl-3-nitrophenyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
10-methyl-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: | D021-0092 |
| Compound Name: | 10-methyl-1-(4-methyl-3-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: | CC1=CC=CN2C1=NC1=C(C=C(C#N)C(N1c1ccc(C)c(c1)[N+]([O-])=O)=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 2.1671 |
| logD: | 2.1671 |
| logSw: | -2.5356 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 89.12 |
| InChI Key: | FBQPRNHYSHQOJT-UHFFFAOYSA-N |