methyl 2-[(4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}cyclohexane-1-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}cyclohexane-1-carbonyl)amino]benzoate
methyl 2-[(4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}cyclohexane-1-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | C548-3490 |
| Compound Name: | methyl 2-[(4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}cyclohexane-1-carbonyl)amino]benzoate |
| Molecular Weight: | 488.58 |
| Molecular Formula: | C22 H24 N4 O5 S2 |
| Smiles: | COC(c1ccccc1NC(C1CCC(CC1)CNS(c1cccc2c1nsn2)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8973 |
| logD: | 3.829 |
| logSw: | -4.1564 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.709 |
| InChI Key: | KNMYQJLZSGXKEB-UHFFFAOYSA-N |