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 |