2-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}-5-[(methanesulfonyl)amino]benzoic acid
Chemical Structure Depiction of
2-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}-5-[(methanesulfonyl)amino]benzoic acid
2-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}-5-[(methanesulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F290-0700 |
| Compound Name: | 2-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}-5-[(methanesulfonyl)amino]benzoic acid |
| Molecular Weight: | 450.49 |
| Molecular Formula: | C20 H23 F N4 O5 S |
| Smiles: | CS(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)CC(Nc1ccc(cc1)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3361 |
| logD: | 0.2204 |
| logSw: | -3.0328 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.355 |
| InChI Key: | YGWAXBZQONUVLR-UHFFFAOYSA-N |