3-{[(6-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl](methyl)amino}propanenitrile
Chemical Structure Depiction of
3-{[(6-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl](methyl)amino}propanenitrile
3-{[(6-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl](methyl)amino}propanenitrile
Compound characteristics
| Compound ID: | D154-0443 |
| Compound Name: | 3-{[(6-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl](methyl)amino}propanenitrile |
| Molecular Weight: | 272.3 |
| Molecular Formula: | C15 H16 N2 O3 |
| Smiles: | CN(CCC#N)CC1=CC(=O)Oc2ccc(cc12)OC |
| Stereo: | ACHIRAL |
| logP: | 0.9291 |
| logD: | 0.9281 |
| logSw: | -2.26 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.775 |
| InChI Key: | DNKDOSAQPBTSGR-UHFFFAOYSA-N |