ethyl 1-(2-methylpropyl)-2-[(4-nitrobenzoyl)imino]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-(2-methylpropyl)-2-[(4-nitrobenzoyl)imino]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
ethyl 1-(2-methylpropyl)-2-[(4-nitrobenzoyl)imino]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Compound characteristics
| Compound ID: | C098-0292 |
| Compound Name: | ethyl 1-(2-methylpropyl)-2-[(4-nitrobenzoyl)imino]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate |
| Molecular Weight: | 489.49 |
| Molecular Formula: | C25 H23 N5 O6 |
| Smiles: | CCOC(C1=CC2=C(N=C3C=CC=CN3C2=O)N(CC(C)C)C/1=N/C(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2542 |
| logD: | 3.2541 |
| logSw: | -3.5018 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 103.347 |
| InChI Key: | KGMHSTWWOMKEPU-UHFFFAOYSA-N |