6-[1-oxo-3-phenyl-1-(piperidin-1-yl)propan-2-yl]-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Chemical Structure Depiction of
6-[1-oxo-3-phenyl-1-(piperidin-1-yl)propan-2-yl]-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
6-[1-oxo-3-phenyl-1-(piperidin-1-yl)propan-2-yl]-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Compound characteristics
Compound ID: | V018-4501 |
Compound Name: | 6-[1-oxo-3-phenyl-1-(piperidin-1-yl)propan-2-yl]-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione |
Molecular Weight: | 552.6 |
Molecular Formula: | C30 H31 F3 N4 O3 |
Smiles: | C=CCN1C2CN(C(Cc3ccccc3)C(N3CCCCC3)=O)C(C=2C(c2ccccc2C(F)(F)F)NC1=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.7741 |
logD: | 4.6857 |
logSw: | -4.6378 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 60.454 |
InChI Key: | MSTJJVCIMPRDOC-UHFFFAOYSA-N |