6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1-methyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Chemical Structure Depiction of
6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1-methyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1-methyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Compound characteristics
| Compound ID: | V013-9692 |
| Compound Name: | 6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1-methyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione |
| Molecular Weight: | 484.48 |
| Molecular Formula: | C25 H23 F3 N4 O3 |
| Smiles: | CN1C2CN(CC(N3CCc4ccccc4C3)=O)C(C=2C(c2ccccc2C(F)(F)F)NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7395 |
| logD: | 2.5566 |
| logSw: | -3.3529 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.557 |
| InChI Key: | PMLCCTYNYNLRON-JOCHJYFZSA-N |