N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}cyclohexane-1-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C548-3500 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 488.58 |
| Molecular Formula: | C22 H24 N4 O5 S2 |
| Smiles: | C1CC(CCC1CNS(c1cccc2c1nsn2)(=O)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4761 |
| logD: | 3.4744 |
| logSw: | -3.7187 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.67 |
| InChI Key: | FPBUBLMEKWVFIO-UHFFFAOYSA-N |