4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C548-3601 |
| Compound Name: | 4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide |
| Molecular Weight: | 498.67 |
| Molecular Formula: | C18 H22 N6 O3 S4 |
| Smiles: | CCSc1nnc(NC(C2CCC(CC2)CNS(c2cccc3c2nsn3)(=O)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3955 |
| logD: | 4.3839 |
| logSw: | -4.2217 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.139 |
| InChI Key: | TZQSEEJEPXCXEX-UHFFFAOYSA-N |