6-benzyl-1-(prop-2-en-1-yl)-4-[4-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Chemical Structure Depiction of
6-benzyl-1-(prop-2-en-1-yl)-4-[4-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
6-benzyl-1-(prop-2-en-1-yl)-4-[4-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Compound characteristics
| Compound ID: | V013-7517 |
| Compound Name: | 6-benzyl-1-(prop-2-en-1-yl)-4-[4-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione |
| Molecular Weight: | 427.42 |
| Molecular Formula: | C23 H20 F3 N3 O2 |
| Smiles: | C=CCN1C2CN(Cc3ccccc3)C(C=2C(c2ccc(cc2)C(F)(F)F)NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7888 |
| logD: | 3.7697 |
| logSw: | -4.1297 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.715 |
| InChI Key: | YKMMYNCKPGGRSN-HXUWFJFHSA-N |