3-{[(6-hydroxy-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl](methyl)amino}propanenitrile
Chemical Structure Depiction of
3-{[(6-hydroxy-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl](methyl)amino}propanenitrile
3-{[(6-hydroxy-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl](methyl)amino}propanenitrile
Compound characteristics
| Compound ID: | Y041-3930 |
| Compound Name: | 3-{[(6-hydroxy-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl](methyl)amino}propanenitrile |
| Molecular Weight: | 272.3 |
| Molecular Formula: | C15 H16 N2 O3 |
| Smiles: | Cc1cc2c(cc1O)C(CN(C)CCC#N)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 0.7808 |
| logD: | 0.7792 |
| logSw: | -1.4724 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.78 |
| InChI Key: | FGQMQKCFBUGKOP-UHFFFAOYSA-N |