2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-[(4-ethylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-[(4-ethylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-[(4-ethylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0447 |
| Compound Name: | 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-[(4-ethylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 654.05 |
| Molecular Formula: | C30 H32 N4 O4 S |
| Salt: | 3HCl |
| Smiles: | CCc1ccc(cc1)S(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)c1cc(C)ccc1C)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.585 |
| logD: | 4.6409 |
| logSw: | -5.5266 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.502 |
| InChI Key: | BMYJMFIONVLFHK-UHFFFAOYSA-N |