ethyl 1-butyl-2-{[3-(2-chloro-6-fluorophenyl)-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-chloro-6-fluorophenyl)-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-chloro-6-fluorophenyl)-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: | C098-0276 |
| Compound Name: | ethyl 1-butyl-2-{[3-(2-chloro-6-fluorophenyl)-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: | 578 |
| Molecular Formula: | C29 H25 Cl F N5 O5 |
| Smiles: | CCCCN1C2=C(C=C(/C1=N/C(c1c(c3c(cccc3[Cl])F)noc1C)=O)C(=O)OCC)C(N1C=CC=CC1=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0665 |
| logD: | 4.0664 |
| logSw: | -4.7283 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 91.905 |
| InChI Key: | SJBIVUCLUBIECH-UHFFFAOYSA-N |