4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-methyl-N-(3-methylphenyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-methyl-N-(3-methylphenyl)cyclohexane-1-carboxamide
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-methyl-N-(3-methylphenyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C548-3617 |
| Compound Name: | 4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-methyl-N-(3-methylphenyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 458.6 |
| Molecular Formula: | C22 H26 N4 O3 S2 |
| Smiles: | Cc1cccc(c1)N(C)C(C1CCC(CC1)CNS(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4805 |
| logD: | 4.4789 |
| logSw: | -4.3412 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.511 |
| InChI Key: | DKMVIJGXDMNYNC-UHFFFAOYSA-N |