4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C548-3448 |
| Compound Name: | 4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(4-methoxyphenyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 460.57 |
| Molecular Formula: | C21 H24 N4 O4 S2 |
| Smiles: | COc1ccc(cc1)NC(C1CCC(CC1)CNS(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8565 |
| logD: | 3.8549 |
| logSw: | -4.0917 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.776 |
| InChI Key: | KPTOUXHSLPUFNP-UHFFFAOYSA-N |