ethyl 2-{[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]imino}-5-oxo-1-[(oxolan-2-yl)methyl]-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}-5-oxo-1-[(oxolan-2-yl)methyl]-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}-5-oxo-1-[(oxolan-2-yl)methyl]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Compound characteristics
| Compound ID: | C098-0690 |
| Compound Name: | ethyl 2-{[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]imino}-5-oxo-1-[(oxolan-2-yl)methyl]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate |
| Molecular Weight: | 606.01 |
| Molecular Formula: | C30 H25 Cl F N5 O6 |
| Smiles: | CCOC(C1=CC2=C(N=C3C=CC=CN3C2=O)N(CC2CCCO2)C/1=N/C(c1c(c2c(cccc2[Cl])F)noc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8477 |
| logD: | 2.8476 |
| logSw: | -3.7017 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 100.309 |
| InChI Key: | XYSQPYDRJKJYCZ-QGZVFWFLSA-N |