ethyl 2-{[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]imino}-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]imino}-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
ethyl 2-{[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]imino}-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Compound characteristics
| Compound ID: | C098-0345 |
| Compound Name: | ethyl 2-{[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]imino}-1-(2-methylpropyl)-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: | CCOC(C1=CC2=C(N=C3C=CC=CN3C2=O)N(CC(C)C)C/1=N/C(c1c(c2c(cccc2[Cl])F)noc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0442 |
| logD: | 4.044 |
| logSw: | -4.737 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 91.926 |
| InChI Key: | HOBSIHMXRZQPFM-UHFFFAOYSA-N |