1-(2,1,3-benzothiadiazole-4-sulfonyl)-8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-(2,1,3-benzothiadiazole-4-sulfonyl)-8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
1-(2,1,3-benzothiadiazole-4-sulfonyl)-8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-1140 |
| Compound Name: | 1-(2,1,3-benzothiadiazole-4-sulfonyl)-8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 589.71 |
| Molecular Formula: | C24 H27 N7 O5 S3 |
| Smiles: | Cn1cc(nc1)S(N1CCCN(CCNC(CC1c1ccccc1)=O)S(c1cccc2c1nsn2)(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.285 |
| logD: | 1.285 |
| logSw: | -2.2473 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 122.386 |
| InChI Key: | ZVWJOAVJBKSHPY-HXUWFJFHSA-N |