4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-(4-methylphenyl)-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-(4-methylphenyl)-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-(4-methylphenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Compound characteristics
| Compound ID: | D584-4814 |
| Compound Name: | 4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-(4-methylphenyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one |
| Molecular Weight: | 439.52 |
| Molecular Formula: | C26 H25 N5 O2 |
| Smiles: | Cc1ccc(cc1)c1nc2N(CC(N3CCc4ccccc4C3)=O)C3CCCC=3C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9355 |
| logD: | 3.9355 |
| logSw: | -3.8484 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.004 |
| InChI Key: | DMKMZUOTMLYOPM-UHFFFAOYSA-N |