6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-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-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-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: | V018-4005 |
| Compound Name: | 6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-phenyl-1-(prop-2-en-1-yl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione |
| Molecular Weight: | 403.44 |
| Molecular Formula: | C23 H21 N3 O4 |
| Smiles: | C=CCN1C2CN(Cc3ccc4c(c3)OCO4)C(C=2C(c2ccccc2)NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7915 |
| logD: | 2.7725 |
| logSw: | -3.2557 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.83 |
| InChI Key: | NLGXZPMWUSTKOE-NRFANRHFSA-N |