2-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methylidene)-5,5-dimethylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methylidene)-5,5-dimethylcyclohexane-1,3-dione
2-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methylidene)-5,5-dimethylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 4850-0439 |
| Compound Name: | 2-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methylidene)-5,5-dimethylcyclohexane-1,3-dione |
| Molecular Weight: | 301.34 |
| Molecular Formula: | C17 H19 N O4 |
| Smiles: | CC1(C)CC(C(=CNCc2ccc3c(c2)OCO3)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5519 |
| logD: | 1.5518 |
| logSw: | -2.0145 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.903 |
| InChI Key: | GYRSECPXJLFJST-UHFFFAOYSA-N |