6-[2-(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethenyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Chemical Structure Depiction of
6-[2-(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethenyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
6-[2-(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethenyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Compound characteristics
| Compound ID: | H025-3266 |
| Compound Name: | 6-[2-(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethenyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide |
| Molecular Weight: | 439.47 |
| Molecular Formula: | C22 H25 N5 O5 |
| Smiles: | CCN1C(c2c(nc(/C=C/c3ccc4c(c3)OCC(C(NC)=O)O4)n2C)N(CC)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7662 |
| logD: | 1.7662 |
| logSw: | -2.3752 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.681 |
| InChI Key: | WJBFUDJXMPRBJX-MRXNPFEDSA-N |