5-[(benzenesulfonyl)amino]-2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}benzoic acid
Chemical Structure Depiction of
5-[(benzenesulfonyl)amino]-2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}benzoic acid
5-[(benzenesulfonyl)amino]-2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}benzoic acid
Compound characteristics
| Compound ID: | F290-0354 |
| Compound Name: | 5-[(benzenesulfonyl)amino]-2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}benzoic acid |
| Molecular Weight: | 495.55 |
| Molecular Formula: | C25 H25 N3 O6 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)c1ccc(cc1C(O)=O)NS(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7683 |
| logD: | 3.7683 |
| logSw: | -3.9395 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.104 |
| InChI Key: | RULQETMDOAYGAR-UHFFFAOYSA-N |