4-[3-(benzyloxy)phenyl]-6-[2-(3,4-dimethoxyphenyl)ethyl]-1-(prop-2-en-1-yl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Chemical Structure Depiction of
4-[3-(benzyloxy)phenyl]-6-[2-(3,4-dimethoxyphenyl)ethyl]-1-(prop-2-en-1-yl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
4-[3-(benzyloxy)phenyl]-6-[2-(3,4-dimethoxyphenyl)ethyl]-1-(prop-2-en-1-yl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Compound characteristics
| Compound ID: | V004-2167 |
| Compound Name: | 4-[3-(benzyloxy)phenyl]-6-[2-(3,4-dimethoxyphenyl)ethyl]-1-(prop-2-en-1-yl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione |
| Molecular Weight: | 539.63 |
| Molecular Formula: | C32 H33 N3 O5 |
| Smiles: | COc1ccc(CCN2CC3=C(C(c4cccc(c4)OCc4ccccc4)NC(N3CC=C)=O)C2=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2664 |
| logD: | 4.2604 |
| logSw: | -4.5015 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.182 |
| InChI Key: | WQZFQPNPAQQABY-PMERELPUSA-N |