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 |