4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-{3-[ethyl(phenyl)amino]propyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-{3-[ethyl(phenyl)amino]propyl}cyclohexane-1-carboxamide
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-{3-[ethyl(phenyl)amino]propyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C548-3654 |
| Compound Name: | 4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-{3-[ethyl(phenyl)amino]propyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 515.7 |
| Molecular Formula: | C25 H33 N5 O3 S2 |
| Smiles: | CCN(CCCNC(C1CCC(CC1)CNS(c1cccc2c1nsn2)(=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5092 |
| logD: | 4.4784 |
| logSw: | -4.1358 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.386 |
| InChI Key: | MHNKWJOHEADLDF-UHFFFAOYSA-N |