N-(3-acetylphenyl)-4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}cyclohexane-1-carboxamide
N-(3-acetylphenyl)-4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C548-3543 |
| Compound Name: | N-(3-acetylphenyl)-4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 472.58 |
| Molecular Formula: | C22 H24 N4 O4 S2 |
| Smiles: | CC(c1cccc(c1)NC(C1CCC(CC1)CNS(c1cccc2c1nsn2)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.615 |
| logD: | 3.6134 |
| logSw: | -3.7471 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.06 |
| InChI Key: | RDGSGFKSBRBHAV-UHFFFAOYSA-N |