N-(2,2-dimethoxyethyl)-2-[3-(methylsulfanyl)anilino]quinoline-4-carboxamide
Chemical Structure Depiction of
N-(2,2-dimethoxyethyl)-2-[3-(methylsulfanyl)anilino]quinoline-4-carboxamide
N-(2,2-dimethoxyethyl)-2-[3-(methylsulfanyl)anilino]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | C387-1451 |
| Compound Name: | N-(2,2-dimethoxyethyl)-2-[3-(methylsulfanyl)anilino]quinoline-4-carboxamide |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | COC(CNC(c1cc(Nc2cccc(c2)SC)nc2ccccc12)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.8731 |
| logD: | 3.8727 |
| logSw: | -4.0444 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.228 |
| InChI Key: | OANJTPXQAYEYBE-UHFFFAOYSA-N |