6-[2-(4-benzylpiperidin-1-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-(4-benzylpiperidin-1-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-(4-benzylpiperidin-1-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: | V013-8435 |
| Compound Name: | 6-[2-(4-benzylpiperidin-1-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: | 526.56 |
| Molecular Formula: | C28 H29 F3 N4 O3 |
| Smiles: | CN1C2CN(CC(N3CCC(CC3)Cc3ccccc3)=O)C(C=2C(c2ccccc2C(F)(F)F)NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7527 |
| logD: | 3.5699 |
| logSw: | -4.1262 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.623 |
| InChI Key: | DDHUDMLLRRJRIW-RUZDIDTESA-N |