4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-5,7-dimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-5,7-dimethyl-2H-1-benzopyran-2-one
4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-5,7-dimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | J079-0762 |
| Compound Name: | 4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-5,7-dimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 319.4 |
| Molecular Formula: | C21 H21 N O2 |
| Smiles: | Cc1cc(C)c2C(CN3CCc4ccccc4C3)=CC(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 4.2749 |
| logD: | 4.1848 |
| logSw: | -4.3386 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 24.0402 |
| InChI Key: | IUEMWJYKAIDIHO-UHFFFAOYSA-N |