6-[3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-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-[3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-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-[3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-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: | V004-1624 |
| Compound Name: | 6-[3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-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: | 490.53 |
| Molecular Formula: | C25 H29 F3 N4 O3 |
| Smiles: | CC(C)C(C(N1CCCC1)=O)N1CC2=C(C(c3ccccc3C(F)(F)F)NC(N2CC=C)=O)C1=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7572 |
| logD: | 3.6688 |
| logSw: | -3.9178 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.127 |
| InChI Key: | KMCBCPOYTUEOAQ-UHFFFAOYSA-N |