4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-[3-(morpholin-4-yl)propyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-[3-(morpholin-4-yl)propyl]cyclohexane-1-carboxamide
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-[3-(morpholin-4-yl)propyl]cyclohexane-1-carboxamide
Compound characteristics
Compound ID: | C548-3626 |
Compound Name: | 4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-[3-(morpholin-4-yl)propyl]cyclohexane-1-carboxamide |
Molecular Weight: | 481.64 |
Molecular Formula: | C21 H31 N5 O4 S2 |
Smiles: | C(CNC(C1CCC(CC1)CNS(c1cccc2c1nsn2)(=O)=O)=O)CN1CCOCC1 |
Stereo: | ACHIRAL |
logP: | 1.9985 |
logD: | 1.575 |
logSw: | -2.4949 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 99.287 |
InChI Key: | ZHSNSNIRXZRDAB-UHFFFAOYSA-N |