3-{methyl[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]amino}propanenitrile
Chemical Structure Depiction of
3-{methyl[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]amino}propanenitrile
3-{methyl[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]amino}propanenitrile
Compound characteristics
| Compound ID: | D154-0158 |
| Compound Name: | 3-{methyl[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]amino}propanenitrile |
| Molecular Weight: | 256.3 |
| Molecular Formula: | C15 H16 N2 O2 |
| Smiles: | Cc1ccc2C(CN(C)CCC#N)=CC(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 1.4255 |
| logD: | 1.4236 |
| logSw: | -2.3321 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.232 |
| InChI Key: | KDHFJGYKENESNL-UHFFFAOYSA-N |