5-[(5-chloro-2-methoxybenzene-1-sulfonyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid
Chemical Structure Depiction of
5-[(5-chloro-2-methoxybenzene-1-sulfonyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid
5-[(5-chloro-2-methoxybenzene-1-sulfonyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid
Compound characteristics
| Compound ID: | F290-0510 |
| Compound Name: | 5-[(5-chloro-2-methoxybenzene-1-sulfonyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid |
| Molecular Weight: | 478.95 |
| Molecular Formula: | C21 H23 Cl N4 O5 S |
| Smiles: | COc1ccc(cc1S(Nc1ccc(c(c1)C(O)=O)N1CCN(CCC#N)CC1)(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.5262 |
| logD: | 0.4105 |
| logSw: | -3.2678 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.36 |
| InChI Key: | TUGSCYIKZAQRMW-UHFFFAOYSA-N |