ethyl 1-butyl-2-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]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-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
ethyl 1-butyl-2-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Compound characteristics
| Compound ID: | C098-0275 |
| Compound Name: | ethyl 1-butyl-2-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate |
| Molecular Weight: | 560.01 |
| Molecular Formula: | C29 H26 Cl N5 O5 |
| Smiles: | CCCCN1C2=C(C=C(/C1=N/C(c1c(c3ccccc3[Cl])noc1C)=O)C(=O)OCC)C(N1C=CC=CC1=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1302 |
| logD: | 4.1301 |
| logSw: | -4.6764 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 91.905 |
| InChI Key: | NJKCDQRPKTTZFK-UHFFFAOYSA-N |