4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C548-3487 |
| Compound Name: | 4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 474.6 |
| Molecular Formula: | C22 H26 N4 O4 S2 |
| Smiles: | COc1ccc(CNC(C2CCC(CC2)CNS(c2cccc3c2nsn3)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5453 |
| logD: | 3.5437 |
| logSw: | -3.6563 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.099 |
| InChI Key: | XLZMKXRPULOGJY-UHFFFAOYSA-N |