2-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}-5-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
2-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}-5-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid
2-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}-5-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F290-0725 |
| Compound Name: | 2-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}-5-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 483.56 |
| Molecular Formula: | C25 H26 F N3 O4 S |
| Smiles: | Cc1ccccc1S(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)Cc1cccc(c1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3674 |
| logD: | 2.2518 |
| logSw: | -4.127 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.988 |
| InChI Key: | UCTULWJKXWHCMW-UHFFFAOYSA-N |