4-[8-(1-methyl-1H-imidazole-4-sulfonyl)-5-oxo-7-phenyl-1,4,8-triazacycloundecane-1-carbonyl]benzonitrile
Chemical Structure Depiction of
4-[8-(1-methyl-1H-imidazole-4-sulfonyl)-5-oxo-7-phenyl-1,4,8-triazacycloundecane-1-carbonyl]benzonitrile
4-[8-(1-methyl-1H-imidazole-4-sulfonyl)-5-oxo-7-phenyl-1,4,8-triazacycloundecane-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | S791-0918 |
| Compound Name: | 4-[8-(1-methyl-1H-imidazole-4-sulfonyl)-5-oxo-7-phenyl-1,4,8-triazacycloundecane-1-carbonyl]benzonitrile |
| Molecular Weight: | 520.61 |
| Molecular Formula: | C26 H28 N6 O4 S |
| Smiles: | Cn1cc(nc1)S(N1CCCN(CCNC(CC1c1ccccc1)=O)C(c1ccc(C#N)cc1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6901 |
| logD: | 0.6901 |
| logSw: | -2.2645 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.427 |
| InChI Key: | QQHWOPIMHDBSBP-QHCPKHFHSA-N |