5-[(3-fluorobenzene-1-sulfonyl)amino]-2-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid
Chemical Structure Depiction of
5-[(3-fluorobenzene-1-sulfonyl)amino]-2-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid
5-[(3-fluorobenzene-1-sulfonyl)amino]-2-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid
Compound characteristics
| Compound ID: | F290-0691 |
| Compound Name: | 5-[(3-fluorobenzene-1-sulfonyl)amino]-2-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid |
| Molecular Weight: | 494.54 |
| Molecular Formula: | C22 H27 F N4 O6 S |
| Smiles: | COCCNC(CN1CCN(CC1)c1ccc(cc1C(O)=O)NS(c1cccc(c1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0491 |
| logD: | -0.0666 |
| logSw: | -2.8847 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.915 |
| InChI Key: | PXLYZPZPBCFCHO-UHFFFAOYSA-N |