8-(1-methyl-1H-imidazole-4-sulfonyl)-1-(6-methylpyridine-3-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(1-methyl-1H-imidazole-4-sulfonyl)-1-(6-methylpyridine-3-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
8-(1-methyl-1H-imidazole-4-sulfonyl)-1-(6-methylpyridine-3-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0936 |
| Compound Name: | 8-(1-methyl-1H-imidazole-4-sulfonyl)-1-(6-methylpyridine-3-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 510.61 |
| Molecular Formula: | C25 H30 N6 O4 S |
| Smiles: | Cc1ccc(cn1)C(N1CCCN(C(CC(NCC1)=O)c1ccccc1)S(c1cn(C)cn1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.3796 |
| logD: | 0.3794 |
| logSw: | -2.2349 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.315 |
| InChI Key: | ZTDLGDAULZSCNA-QFIPXVFZSA-N |