6-[(4-bromobenzene-1-sulfonyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
6-[(4-bromobenzene-1-sulfonyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-[(4-bromobenzene-1-sulfonyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0101 |
| Compound Name: | 6-[(4-bromobenzene-1-sulfonyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 653.81 |
| Molecular Formula: | C23 H22 Br N5 O4 S |
| Salt: | 3HCl |
| Smiles: | C(CN1CCN(CC1)c1cc(C(O)=O)c2cc(ccc2n1)NS(c1ccc(cc1)[Br])(=O)=O)C#N |
| Stereo: | ACHIRAL |
| logP: | 4.1701 |
| logD: | 1.226 |
| logSw: | -4.0937 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.825 |
| InChI Key: | XWSFOBYGWKJYPA-UHFFFAOYSA-N |