N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(6-ethyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(6-ethyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(6-ethyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G751-5488 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(6-ethyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}acetamide |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C22 H22 N2 O4 S |
| Smiles: | CCc1ccc2c(c1)C(C=C(CSCC(NCc1ccc3c(c1)OCO3)=O)N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2556 |
| logD: | 4.2491 |
| logSw: | -4.2363 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.349 |
| InChI Key: | MMHBWSGVCJTXQL-UHFFFAOYSA-N |