ethyl 1-cyclohexyl-5-oxo-2-{[4-(trifluoromethyl)benzoyl]imino}-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-cyclohexyl-5-oxo-2-{[4-(trifluoromethyl)benzoyl]imino}-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
ethyl 1-cyclohexyl-5-oxo-2-{[4-(trifluoromethyl)benzoyl]imino}-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Compound characteristics
| Compound ID: | C098-0764 |
| Compound Name: | ethyl 1-cyclohexyl-5-oxo-2-{[4-(trifluoromethyl)benzoyl]imino}-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate |
| Molecular Weight: | 538.53 |
| Molecular Formula: | C28 H25 F3 N4 O4 |
| Smiles: | CCOC(C1=CC2=C(N=C3C=CC=CN3C2=O)N(C2CCCCC2)C\1=N/C(c1ccc(cc1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5672 |
| logD: | 4.5672 |
| logSw: | -4.3377 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.916 |
| InChI Key: | ZPPFAQADCPSIJT-UHFFFAOYSA-N |