2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-[(ethanesulfonyl)amino]benzoic acid
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-[(ethanesulfonyl)amino]benzoic acid
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-[(ethanesulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F290-0355 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-[(ethanesulfonyl)amino]benzoic acid |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C21 H25 N3 O6 S |
| Smiles: | CCS(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8593 |
| logD: | 2.8593 |
| logSw: | -3.4451 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.002 |
| InChI Key: | OHIKJESUUYMBPJ-UHFFFAOYSA-N |