6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3,5-dimethoxyphenyl)-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-(3,5-dimethoxyphenyl)-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-(3,5-dimethoxyphenyl)-1-(prop-2-en-1-yl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Compound characteristics
| Compound ID: | V005-8858 |
| Compound Name: | 6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3,5-dimethoxyphenyl)-1-(prop-2-en-1-yl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione |
| Molecular Weight: | 463.49 |
| Molecular Formula: | C25 H25 N3 O6 |
| Smiles: | COc1cc(cc(c1)OC)C1C2=C(CN(Cc3ccc4c(c3)OCO4)C2=O)N(CC=C)C(N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8304 |
| logD: | 2.8285 |
| logSw: | -3.3533 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.918 |
| InChI Key: | YLMFLZDAIRQMMF-QHCPKHFHSA-N |