ethyl 1-butyl-2-[(2-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-butyl-2-[(2-methyl-3-nitrobenzoyl)imino]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
ethyl 1-butyl-2-[(2-methyl-3-nitrobenzoyl)imino]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Compound characteristics
| Compound ID: | C098-0255 |
| Compound Name: | ethyl 1-butyl-2-[(2-methyl-3-nitrobenzoyl)imino]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate |
| Molecular Weight: | 503.51 |
| Molecular Formula: | C26 H25 N5 O6 |
| Smiles: | CCCCN1C2=C(C=C(/C1=N/C(c1cccc(c1C)[N+]([O-])=O)=O)C(=O)OCC)C(N1C=CC=CC1=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6518 |
| logD: | 3.6516 |
| logSw: | -3.9531 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 103.025 |
| InChI Key: | YXFKAIRCIFPKER-UHFFFAOYSA-N |