1-[3-oxo-3-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propyl]-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
1-[3-oxo-3-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propyl]-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-[3-oxo-3-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propyl]-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-0786 |
| Compound Name: | 1-[3-oxo-3-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propyl]-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 503.6 |
| Molecular Formula: | C31 H29 N5 O2 |
| Smiles: | C1CN(CC=C1c1ccccc1)C(CCc1nnc2N(CCc3ccccc3)C(c3ccccc3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1585 |
| logD: | 4.1585 |
| logSw: | -4.3729 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.806 |
| InChI Key: | ZZJPFQGYWQOBCZ-UHFFFAOYSA-N |