ethyl 2-{[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]imino}-1-(2-methoxyethyl)-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-methoxyethyl)-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-methoxyethyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Compound characteristics
| Compound ID: | C098-0414 |
| Compound Name: | ethyl 2-{[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]imino}-1-(2-methoxyethyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate |
| Molecular Weight: | 579.97 |
| Molecular Formula: | C28 H23 Cl F N5 O6 |
| Smiles: | CCOC(C1=CC2=C(N=C3C=CC=CN3C2=O)N(CCOC)C/1=N/C(c1c(c2c(cccc2[Cl])F)noc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6238 |
| logD: | 2.6237 |
| logSw: | -3.6435 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 100.247 |
| InChI Key: | LCNXGEUSJCOHAM-UHFFFAOYSA-N |