N-(2,2-diethoxyethyl)-2-[(4-fluorophenyl)sulfanyl]quinoline-4-carboxamide
Chemical Structure Depiction of
N-(2,2-diethoxyethyl)-2-[(4-fluorophenyl)sulfanyl]quinoline-4-carboxamide
N-(2,2-diethoxyethyl)-2-[(4-fluorophenyl)sulfanyl]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | C072-0263 |
| Compound Name: | N-(2,2-diethoxyethyl)-2-[(4-fluorophenyl)sulfanyl]quinoline-4-carboxamide |
| Molecular Weight: | 414.5 |
| Molecular Formula: | C22 H23 F N2 O3 S |
| Smiles: | CCOC(CNC(c1cc(nc2ccccc12)Sc1ccc(cc1)F)=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 4.7654 |
| logD: | 4.7654 |
| logSw: | -4.7341 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.998 |
| InChI Key: | VVXFAWKVNTULKF-UHFFFAOYSA-N |