4-{[(4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}cyclohexane-1-carbonyl)amino]methyl}benzoic acid
Chemical Structure Depiction of
4-{[(4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}cyclohexane-1-carbonyl)amino]methyl}benzoic acid
4-{[(4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}cyclohexane-1-carbonyl)amino]methyl}benzoic acid
Compound characteristics
| Compound ID: | C548-3588 |
| Compound Name: | 4-{[(4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}cyclohexane-1-carbonyl)amino]methyl}benzoic acid |
| Molecular Weight: | 488.58 |
| Molecular Formula: | C22 H24 N4 O5 S2 |
| Smiles: | C1CC(CCC1CNS(c1cccc2c1nsn2)(=O)=O)C(NCc1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4112 |
| logD: | 0.4397 |
| logSw: | -3.5202 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 115.963 |
| InChI Key: | CQGDFHJFRAYQTQ-UHFFFAOYSA-N |