7-{4-[(2,1,3-benzothiadiazole-4-sulfonyl)amino]butanamido}-4-hydroxynaphthalene-2-sulfonic acid
Chemical Structure Depiction of
7-{4-[(2,1,3-benzothiadiazole-4-sulfonyl)amino]butanamido}-4-hydroxynaphthalene-2-sulfonic acid
7-{4-[(2,1,3-benzothiadiazole-4-sulfonyl)amino]butanamido}-4-hydroxynaphthalene-2-sulfonic acid
Compound characteristics
| Compound ID: | C481-1838 |
| Compound Name: | 7-{4-[(2,1,3-benzothiadiazole-4-sulfonyl)amino]butanamido}-4-hydroxynaphthalene-2-sulfonic acid |
| Molecular Weight: | 522.58 |
| Molecular Formula: | C20 H18 N4 O7 S3 |
| Smiles: | C(CC(Nc1ccc2c(cc(cc2c1)S(O)(=O)=O)O)=O)CNS(c1cccc2c1nsn2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.2722 |
| logD: | -14.2905 |
| logSw: | -2.4338 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 144.631 |
| InChI Key: | WWJVPHXPAYZETM-UHFFFAOYSA-N |