6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-ethoxyphenyl)-1-methyl-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-(4-ethoxyphenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-ethoxyphenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Compound characteristics
| Compound ID: | V020-9135 |
| Compound Name: | 6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-ethoxyphenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione |
| Molecular Weight: | 421.45 |
| Molecular Formula: | C23 H23 N3 O5 |
| Smiles: | CCOc1ccc(cc1)C1C2=C(CN(Cc3ccc4c(c3)OCO4)C2=O)N(C)C(N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3938 |
| logD: | 2.3893 |
| logSw: | -3.0377 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.741 |
| InChI Key: | LKBFOZDALAXCET-NRFANRHFSA-N |