2-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-5-[(ethanesulfonyl)amino]benzoic acid
Chemical Structure Depiction of
2-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-5-[(ethanesulfonyl)amino]benzoic acid
2-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-5-[(ethanesulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F290-0570 |
| Compound Name: | 2-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-5-[(ethanesulfonyl)amino]benzoic acid |
| Molecular Weight: | 467.97 |
| Molecular Formula: | C21 H26 Cl N3 O5 S |
| Smiles: | CCS(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)CCOc1ccc(cc1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8635 |
| logD: | 1.7478 |
| logSw: | -4.1392 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.283 |
| InChI Key: | ZYEQEPQJTHDTLC-UHFFFAOYSA-N |