4-[(4-chlorophenyl)methyl]-1-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
4-[(4-chlorophenyl)methyl]-1-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-[(4-chlorophenyl)methyl]-1-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-0579 |
| Compound Name: | 4-[(4-chlorophenyl)methyl]-1-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 497.98 |
| Molecular Formula: | C28 H24 Cl N5 O2 |
| Smiles: | C(Cc1nnc2N(Cc3ccc(cc3)[Cl])C(c3ccccc3n12)=O)C(N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0446 |
| logD: | 4.0446 |
| logSw: | -4.6016 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.761 |
| InChI Key: | WCKPDSGWODXKLH-UHFFFAOYSA-N |