2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[(3,5-dimethylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[(3,5-dimethylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[(3,5-dimethylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0725 |
| Compound Name: | 2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[(3,5-dimethylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 602.97 |
| Molecular Formula: | C25 H27 N5 O4 S |
| Salt: | 3HCl |
| Smiles: | Cc1cc(C)cc(c1)S(Nc1ccc2c(c1)c(cc(n2)N1CCN(CCC#N)CC1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0892 |
| logD: | 1.1451 |
| logSw: | -4.033 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.825 |
| InChI Key: | CAACDAHFZKORKQ-UHFFFAOYSA-N |