N-[2-(azepan-1-yl)ethyl]-4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}cyclohexane-1-carboxamide
N-[2-(azepan-1-yl)ethyl]-4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C548-3657 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 479.66 |
| Molecular Formula: | C22 H33 N5 O3 S2 |
| Smiles: | C1CCCN(CC1)CCNC(C1CCC(CC1)CNS(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4782 |
| logD: | 1.6955 |
| logSw: | -3.554 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.71 |
| InChI Key: | QFOGNZNPAGIHEO-UHFFFAOYSA-N |