ethyl 1-methyl-2-[(4-methyl-3-nitrobenzoyl)imino]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-methyl-2-[(4-methyl-3-nitrobenzoyl)imino]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
ethyl 1-methyl-2-[(4-methyl-3-nitrobenzoyl)imino]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Compound characteristics
| Compound ID: | C098-0049 |
| Compound Name: | ethyl 1-methyl-2-[(4-methyl-3-nitrobenzoyl)imino]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate |
| Molecular Weight: | 461.43 |
| Molecular Formula: | C23 H19 N5 O6 |
| Smiles: | CCOC(C1=CC2=C(N=C3C=CC=CN3C2=O)N(C)C/1=N/C(c1ccc(C)c(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1135 |
| logD: | 2.1127 |
| logSw: | -2.6523 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 102.812 |
| InChI Key: | PXLJTOKGKQZFGO-UHFFFAOYSA-N |