5-[(3,4-dimethylbenzene-1-sulfonyl)amino]-2-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}benzoic acid
Chemical Structure Depiction of
5-[(3,4-dimethylbenzene-1-sulfonyl)amino]-2-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}benzoic acid
5-[(3,4-dimethylbenzene-1-sulfonyl)amino]-2-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}benzoic acid
Compound characteristics
| Compound ID: | F290-0722 |
| Compound Name: | 5-[(3,4-dimethylbenzene-1-sulfonyl)amino]-2-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}benzoic acid |
| Molecular Weight: | 497.59 |
| Molecular Formula: | C26 H28 F N3 O4 S |
| Smiles: | Cc1ccc(cc1C)S(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)Cc1cccc(c1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1331 |
| logD: | 3.0175 |
| logSw: | -4.8173 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.988 |
| InChI Key: | NGIJOAIQPLYEKT-UHFFFAOYSA-N |