4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-1-ethylquinolin-2(1H)-one
Chemical Structure Depiction of
4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-1-ethylquinolin-2(1H)-one
4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-1-ethylquinolin-2(1H)-one
Compound characteristics
| Compound ID: | C066-3152 |
| Compound Name: | 4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-1-ethylquinolin-2(1H)-one |
| Molecular Weight: | 378.49 |
| Molecular Formula: | C22 H22 N2 O2 S |
| Smiles: | CCN1C(C=C(c2ccccc12)SCC(N1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4344 |
| logD: | 3.4344 |
| logSw: | -3.7296 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.3979 |
| InChI Key: | NGYIBAQSHYNULM-UHFFFAOYSA-N |