1-(2H-1,3-benzodioxol-5-yl)-2-[(7-chloroquinolin-4-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-2-[(7-chloroquinolin-4-yl)sulfanyl]ethan-1-one
1-(2H-1,3-benzodioxol-5-yl)-2-[(7-chloroquinolin-4-yl)sulfanyl]ethan-1-one
Compound characteristics
Compound ID: | 8017-3955 |
Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-2-[(7-chloroquinolin-4-yl)sulfanyl]ethan-1-one |
Molecular Weight: | 357.81 |
Molecular Formula: | C18 H12 Cl N O3 S |
Smiles: | C1Oc2ccc(cc2O1)C(CSc1ccnc2cc(ccc12)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 4.6928 |
logD: | 4.6915 |
logSw: | -4.9774 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 39.092 |
InChI Key: | ABVASAOUHJUXDM-UHFFFAOYSA-N |