4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-[4-(diethylamino)-2-methylphenyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-[4-(diethylamino)-2-methylphenyl]cyclohexane-1-carboxamide
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-[4-(diethylamino)-2-methylphenyl]cyclohexane-1-carboxamide
Compound characteristics
Compound ID: | C548-3616 |
Compound Name: | 4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-[4-(diethylamino)-2-methylphenyl]cyclohexane-1-carboxamide |
Molecular Weight: | 515.7 |
Molecular Formula: | C25 H33 N5 O3 S2 |
Smiles: | CCN(CC)c1ccc(c(C)c1)NC(C1CCC(CC1)CNS(c1cccc2c1nsn2)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.9499 |
logD: | 4.739 |
logSw: | -4.6321 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 88.271 |
InChI Key: | DIQDCGZVXWORMC-UHFFFAOYSA-N |