6-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]quinoline-4-carboxylic acid
Chemical Structure Depiction of
6-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]quinoline-4-carboxylic acid
6-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]quinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | F447-0429 |
| Compound Name: | 6-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]quinoline-4-carboxylic acid |
| Molecular Weight: | 639.38 |
| Molecular Formula: | C24 H24 Cl N5 O5 S |
| Salt: | 3HCl |
| Smiles: | COc1ccc(cc1[Cl])S(Nc1ccc2c(c1)c(cc(n2)N1CCN(CCC#N)CC1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5164 |
| logD: | 0.5723 |
| logSw: | -3.8481 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.455 |
| InChI Key: | KKJYAGZLNFAJDT-UHFFFAOYSA-N |