2-(4-chlorophenyl)-4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-(4-chlorophenyl)-4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-(4-chlorophenyl)-4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D475-1303 |
| Compound Name: | 2-(4-chlorophenyl)-4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 433.9 |
| Molecular Formula: | C23 H20 Cl N5 O2 |
| Smiles: | CC1=CC(n2c(nc(c3ccc(cc3)[Cl])n2)N1CC(N1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8405 |
| logD: | 3.8405 |
| logSw: | -4.4386 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.4 |
| InChI Key: | JAABPUMXSDMBNK-UHFFFAOYSA-N |