4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C548-3597 |
| Compound Name: | 4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide |
| Molecular Weight: | 501.65 |
| Molecular Formula: | C22 H23 N5 O3 S3 |
| Smiles: | Cc1ccc2c(c1)sc(NC(C1CCC(CC1)CNS(c1cccc3c1nsn3)(=O)=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 5.2108 |
| logD: | 5.2092 |
| logSw: | -4.9992 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.994 |
| InChI Key: | LGDKYRULWPXOFP-UHFFFAOYSA-N |