2-[(3-{[1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile
Chemical Structure Depiction of
2-[(3-{[1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile
2-[(3-{[1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile
Compound characteristics
| Compound ID: | 4758-1977 |
| Compound Name: | 2-[(3-{[1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile |
| Molecular Weight: | 490.47 |
| Molecular Formula: | C28 H18 N4 O5 |
| Smiles: | C(c1ccccc1C#N)n1cc(\C=C2/C(NC(N(C2=O)c2ccc3c(c2)OCO3)=O)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.6853 |
| logD: | 3.3135 |
| logSw: | -4.0702 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.295 |
| InChI Key: | MIICPPGHTATREA-UHFFFAOYSA-N |