N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-methylphenyl)sulfanyl]quinoline-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-methylphenyl)sulfanyl]quinoline-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-methylphenyl)sulfanyl]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | C072-0147 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-methylphenyl)sulfanyl]quinoline-4-carboxamide |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C25 H20 N2 O3 S |
| Smiles: | Cc1ccc(cc1)Sc1cc(C(NCc2ccc3c(c2)OCO3)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 6.2053 |
| logD: | 6.2053 |
| logSw: | -5.6316 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.187 |
| InChI Key: | YPXPMKRRXRBLHD-UHFFFAOYSA-N |