4-({[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidine-4-carbonyl]amino}methyl)benzoic acid
Chemical Structure Depiction of
4-({[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidine-4-carbonyl]amino}methyl)benzoic acid
4-({[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidine-4-carbonyl]amino}methyl)benzoic acid
Compound characteristics
| Compound ID: | C361-2474 |
| Compound Name: | 4-({[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidine-4-carbonyl]amino}methyl)benzoic acid |
| Molecular Weight: | 460.53 |
| Molecular Formula: | C20 H20 N4 O5 S2 |
| Smiles: | C1CN(CCC1C(NCc1ccc(cc1)C(O)=O)=O)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2027 |
| logD: | -0.7688 |
| logSw: | -2.5191 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.724 |
| InChI Key: | HWAHANIKCSYETA-UHFFFAOYSA-N |