4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-phenyl-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Chemical Structure Depiction of
4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-phenyl-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-phenyl-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Compound characteristics
| Compound ID: | D584-4714 |
| Compound Name: | 4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-phenyl-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one |
| Molecular Weight: | 425.49 |
| Molecular Formula: | C25 H23 N5 O2 |
| Smiles: | C1CC2=C(C1)N(CC(N1CCc3ccccc3C1)=O)c1nc(c3ccccc3)nn1C2=O |
| Stereo: | ACHIRAL |
| logP: | 3.4071 |
| logD: | 3.4071 |
| logSw: | -3.3779 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.004 |
| InChI Key: | BKCWOLGYRZDXPJ-UHFFFAOYSA-N |