5-[(3,4-difluorobenzene-1-sulfonyl)amino]-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid
Chemical Structure Depiction of
5-[(3,4-difluorobenzene-1-sulfonyl)amino]-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid
5-[(3,4-difluorobenzene-1-sulfonyl)amino]-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid
Compound characteristics
| Compound ID: | F290-0663 |
| Compound Name: | 5-[(3,4-difluorobenzene-1-sulfonyl)amino]-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid |
| Molecular Weight: | 496.53 |
| Molecular Formula: | C22 H26 F2 N4 O5 S |
| Smiles: | CCCNC(CN1CCN(CC1)c1ccc(cc1C(O)=O)NS(c1ccc(c(c1)F)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0557 |
| logD: | 0.94 |
| logSw: | -3.5247 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.573 |
| InChI Key: | BMZYAIRRHSIJLW-UHFFFAOYSA-N |