2-{[(4-chlorophenyl)methyl]amino}-6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]amino}-6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-chlorophenyl)methyl]amino}-6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D481-0066 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]amino}-6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 476.96 |
| Molecular Formula: | C25 H25 Cl N6 O2 |
| Smiles: | CC1=C(CCC(N2CCc3ccccc3C2)=O)C(n2c(N1)nc(NCc1ccc(cc1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5991 |
| logD: | 3.5559 |
| logSw: | -3.9414 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.675 |
| InChI Key: | JZEFYAHRYDDAKZ-UHFFFAOYSA-N |