6-(azepane-1-sulfonyl)-N-(2,2-dimethoxyethyl)-2-(pyridin-3-yl)quinoline-4-carboxamide
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-N-(2,2-dimethoxyethyl)-2-(pyridin-3-yl)quinoline-4-carboxamide
6-(azepane-1-sulfonyl)-N-(2,2-dimethoxyethyl)-2-(pyridin-3-yl)quinoline-4-carboxamide
Compound characteristics
| Compound ID: | K788-1388 |
| Compound Name: | 6-(azepane-1-sulfonyl)-N-(2,2-dimethoxyethyl)-2-(pyridin-3-yl)quinoline-4-carboxamide |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C25 H30 N4 O5 S |
| Smiles: | COC(CNC(c1cc(c2cccnc2)nc2ccc(cc12)S(N1CCCCCC1)(=O)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.9366 |
| logD: | 2.9359 |
| logSw: | -3.3736 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.037 |
| InChI Key: | VTUYBGVVAPTAAD-UHFFFAOYSA-N |