8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1-(pyridine-4-carbonyl)-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1-(pyridine-4-carbonyl)-1,4,8-triazacycloundecan-5-one
8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1-(pyridine-4-carbonyl)-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0972 |
| Compound Name: | 8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1-(pyridine-4-carbonyl)-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 496.59 |
| Molecular Formula: | C24 H28 N6 O4 S |
| Smiles: | Cn1cc(nc1)S(N1CCCN(CCNC(CC1c1ccccc1)=O)C(c1ccncc1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.2134 |
| logD: | -0.2157 |
| logSw: | -1.824 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.799 |
| InChI Key: | CDJUTAIVWVBNMW-NRFANRHFSA-N |