1-(2,1,3-benzothiadiazole-4-sulfonyl)-4-oxo-N-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
1-(2,1,3-benzothiadiazole-4-sulfonyl)-4-oxo-N-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
1-(2,1,3-benzothiadiazole-4-sulfonyl)-4-oxo-N-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-1262 |
| Compound Name: | 1-(2,1,3-benzothiadiazole-4-sulfonyl)-4-oxo-N-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 502.61 |
| Molecular Formula: | C22 H26 N6 O4 S2 |
| Smiles: | C1CC(CCNC(CCN(C1)S(c1cccc2c1nsn2)(=O)=O)=O)C(NCc1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.093 |
| logD: | -0.0964 |
| logSw: | -1.8119 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.098 |
| InChI Key: | XHIZMRSAHDJZPL-KRWDZBQOSA-N |