N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-chloro-6-methylquinolin-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-chloro-6-methylquinolin-4-yl)sulfanyl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-chloro-6-methylquinolin-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C066-3433 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-chloro-6-methylquinolin-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 400.88 |
| Molecular Formula: | C20 H17 Cl N2 O3 S |
| Smiles: | Cc1ccc2c(c1)c(cc(n2)[Cl])SCC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4113 |
| logD: | 4.4113 |
| logSw: | -4.5011 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.751 |
| InChI Key: | NOXAYMYUWZVFOB-UHFFFAOYSA-N |