N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-chlorophenyl)sulfanyl]quinoline-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-chlorophenyl)sulfanyl]quinoline-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-chlorophenyl)sulfanyl]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | C072-0020 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-chlorophenyl)sulfanyl]quinoline-4-carboxamide |
| Molecular Weight: | 448.93 |
| Molecular Formula: | C24 H17 Cl N2 O3 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1cc(nc2ccccc12)Sc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9146 |
| logD: | 5.9146 |
| logSw: | -6.1195 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.187 |
| InChI Key: | KPSVAUKIWDENQO-UHFFFAOYSA-N |