2-[4-(2-cyanoethyl)piperazin-1-yl]-6-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
2-[4-(2-cyanoethyl)piperazin-1-yl]-6-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-[4-(2-cyanoethyl)piperazin-1-yl]-6-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0416 |
| Compound Name: | 2-[4-(2-cyanoethyl)piperazin-1-yl]-6-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 616.99 |
| Molecular Formula: | C26 H29 N5 O4 S |
| Salt: | 3HCl |
| Smiles: | CC(C)c1ccc(cc1)S(Nc1ccc2c(c1)c(cc(n2)N1CCN(CCC#N)CC1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6744 |
| logD: | 1.7303 |
| logSw: | -4.2405 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.825 |
| InChI Key: | LDCZNQNRYZHOPN-UHFFFAOYSA-N |