2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[(3,4-dichlorobenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid
Chemical Structure Depiction of
2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[(3,4-dichlorobenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid
2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[(3,4-dichlorobenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | F447-0695 |
| Compound Name: | 2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[(3,4-dichlorobenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid |
| Molecular Weight: | 643.8 |
| Molecular Formula: | C23 H21 Cl2 N5 O4 S |
| Salt: | 3HCl |
| Smiles: | C(CN1CCN(CC1)c1cc(C(O)=O)c2cc(ccc2n1)NS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)C#N |
| Stereo: | ACHIRAL |
| logP: | 4.4801 |
| logD: | 1.536 |
| logSw: | -4.3448 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.825 |
| InChI Key: | RSLSFWKWGOOLIG-UHFFFAOYSA-N |