4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-6-ethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-6-ethyl-2H-1-benzopyran-2-one
4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-6-ethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | J079-0694 |
| Compound Name: | 4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-6-ethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 319.4 |
| Molecular Formula: | C21 H21 N O2 |
| Smiles: | CCc1ccc2c(c1)C(CN1CCc3ccccc3C1)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.1394 |
| logD: | 3.9392 |
| logSw: | -4.0879 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 24.0402 |
| InChI Key: | NNFKZZXEFMKKLV-UHFFFAOYSA-N |