ethyl 1-butyl-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-butyl-5-oxo-2-{[4-(trifluoromethyl)benzoyl]imino}-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
ethyl 1-butyl-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: | C098-0724 |
| Compound Name: | ethyl 1-butyl-5-oxo-2-{[4-(trifluoromethyl)benzoyl]imino}-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate |
| Molecular Weight: | 512.49 |
| Molecular Formula: | C26 H23 F3 N4 O4 |
| Smiles: | CCCCN1C2=C(C=C(\C1=N/C(c1ccc(cc1)C(F)(F)F)=O)C(=O)OCC)C(N1C=CC=CC1=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2236 |
| logD: | 4.2235 |
| logSw: | -4.0276 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.944 |
| InChI Key: | ZKKWQRQCSDOXGN-UHFFFAOYSA-N |