ethyl 2-{[3,5-bis(trifluoromethyl)benzoyl]imino}-1-[(furan-2-yl)methyl]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[3,5-bis(trifluoromethyl)benzoyl]imino}-1-[(furan-2-yl)methyl]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
ethyl 2-{[3,5-bis(trifluoromethyl)benzoyl]imino}-1-[(furan-2-yl)methyl]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Compound characteristics
| Compound ID: | C098-0775 |
| Compound Name: | ethyl 2-{[3,5-bis(trifluoromethyl)benzoyl]imino}-1-[(furan-2-yl)methyl]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate |
| Molecular Weight: | 604.46 |
| Molecular Formula: | C28 H18 F6 N4 O5 |
| Smiles: | CCOC(C1=CC2=C(N=C3C=CC=CN3C2=O)N(Cc2ccco2)C\1=N/C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6512 |
| logD: | 4.6499 |
| logSw: | -4.4486 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.443 |
| InChI Key: | PQNJRBOZUGZXEQ-UHFFFAOYSA-N |