4-[(4-methylphenyl)methyl]-1-[3-oxo-3-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
4-[(4-methylphenyl)methyl]-1-[3-oxo-3-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-[(4-methylphenyl)methyl]-1-[3-oxo-3-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-0447 |
| Compound Name: | 4-[(4-methylphenyl)methyl]-1-[3-oxo-3-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 503.6 |
| Molecular Formula: | C31 H29 N5 O2 |
| Smiles: | Cc1ccc(CN2C(c3ccccc3n3c(CCC(N4CCC(=CC4)c4ccccc4)=O)nnc23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4828 |
| logD: | 4.4828 |
| logSw: | -4.4116 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.827 |
| InChI Key: | FSDMSZQTVDNLJZ-UHFFFAOYSA-N |