1-ethyl-6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Chemical Structure Depiction of
1-ethyl-6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
1-ethyl-6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Compound characteristics
| Compound ID: | V015-6040 |
| Compound Name: | 1-ethyl-6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione |
| Molecular Weight: | 450.46 |
| Molecular Formula: | C22 H25 F3 N4 O3 |
| Smiles: | CCN1C2CN(CCC(N3CCCC3)=O)C(C=2C(c2ccccc2C(F)(F)F)NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2345 |
| logD: | 2.16 |
| logSw: | -2.9834 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.198 |
| InChI Key: | NKDQNSWCUSEEGC-LJQANCHMSA-N |