2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[(4-ethoxybenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[(4-ethoxybenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[(4-ethoxybenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0546 |
| Compound Name: | 2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[(4-ethoxybenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 618.97 |
| Molecular Formula: | C25 H27 N5 O5 S |
| Salt: | 3HCl |
| Smiles: | CCOc1ccc(cc1)S(Nc1ccc2c(c1)c(cc(n2)N1CCN(CCC#N)CC1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7052 |
| logD: | 0.7611 |
| logSw: | -3.9596 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.949 |
| InChI Key: | SBNDKPPABCKIMX-UHFFFAOYSA-N |