1-(2,1,3-benzothiadiazole-4-sulfonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-(2,1,3-benzothiadiazole-4-sulfonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
1-(2,1,3-benzothiadiazole-4-sulfonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0852 |
| Compound Name: | 1-(2,1,3-benzothiadiazole-4-sulfonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 536.67 |
| Molecular Formula: | C26 H28 N6 O3 S2 |
| Smiles: | C1CN(Cc2ccncc2)C(CC(NCCN(C1)S(c1cccc2c1nsn2)(=O)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1573 |
| logD: | 2.1329 |
| logSw: | -2.5783 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.813 |
| InChI Key: | XFVCLQBTOSICND-HSZRJFAPSA-N |