N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(5,8-dimethyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(5,8-dimethyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(5,8-dimethyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G751-5328 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(5,8-dimethyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}acetamide |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C22 H22 N2 O4 S |
| Smiles: | Cc1ccc(C)c2c1C(C=C(CSCC(NCc1ccc3c(c1)OCO3)=O)N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8568 |
| logD: | 3.8214 |
| logSw: | -4.1544 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.096 |
| InChI Key: | XVZIBHTYRRJJKQ-UHFFFAOYSA-N |