6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(benzyloxy)phenyl]-1-(prop-2-en-1-yl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Chemical Structure Depiction of
6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(benzyloxy)phenyl]-1-(prop-2-en-1-yl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(benzyloxy)phenyl]-1-(prop-2-en-1-yl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Compound characteristics
| Compound ID: | V010-3218 |
| Compound Name: | 6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(benzyloxy)phenyl]-1-(prop-2-en-1-yl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione |
| Molecular Weight: | 509.56 |
| Molecular Formula: | C30 H27 N3 O5 |
| Smiles: | C=CCN1C2CN(Cc3ccc4c(c3)OCO4)C(C=2C(c2cccc(c2)OCc2ccccc2)NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3389 |
| logD: | 4.3329 |
| logSw: | -4.6548 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.058 |
| InChI Key: | ACPCHRRSSIEULG-NDEPHWFRSA-N |