2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-[(4-methoxybenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-[(4-methoxybenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-[(4-methoxybenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0050 |
| Compound Name: | 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-[(4-methoxybenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 656.03 |
| Molecular Formula: | C29 H30 N4 O5 S |
| Salt: | 3HCl |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)c1cc(C(O)=O)c2cc(ccc2n1)NS(c1ccc(cc1)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6024 |
| logD: | 3.6583 |
| logSw: | -5.6922 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.046 |
| InChI Key: | NYYCRQIPPPBXBI-UHFFFAOYSA-N |