3-{[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl](methyl)amino}propanenitrile
Chemical Structure Depiction of
3-{[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl](methyl)amino}propanenitrile
3-{[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl](methyl)amino}propanenitrile
Compound characteristics
| Compound ID: | D154-0019 |
| Compound Name: | 3-{[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl](methyl)amino}propanenitrile |
| Molecular Weight: | 286.33 |
| Molecular Formula: | C16 H18 N2 O3 |
| Smiles: | CCOc1ccc2c(c1)C(CN(C)CCC#N)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 1.3165 |
| logD: | 1.3155 |
| logSw: | -2.5055 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.355 |
| InChI Key: | WNNMSNSJYJHHKO-UHFFFAOYSA-N |