3-[(benzenesulfonyl)amino]-4-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid
Chemical Structure Depiction of
3-[(benzenesulfonyl)amino]-4-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid
3-[(benzenesulfonyl)amino]-4-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid
Compound characteristics
| Compound ID: | F292-0648 |
| Compound Name: | 3-[(benzenesulfonyl)amino]-4-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid |
| Molecular Weight: | 574.58 |
| Molecular Formula: | C22 H28 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCCNC(CN1CCN(CC1)c1ccc(cc1NS(c1ccccc1)(=O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7932 |
| logD: | 0.0545 |
| logSw: | -3.3919 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.875 |
| InChI Key: | XFMXIBVPWVTFAB-UHFFFAOYSA-N |