1-(6-methoxypyridine-3-carbonyl)-8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-(6-methoxypyridine-3-carbonyl)-8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
1-(6-methoxypyridine-3-carbonyl)-8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0947 |
| Compound Name: | 1-(6-methoxypyridine-3-carbonyl)-8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 526.61 |
| Molecular Formula: | C25 H30 N6 O5 S |
| Smiles: | Cn1cc(nc1)S(N1CCCN(CCNC(CC1c1ccccc1)=O)C(c1ccc(nc1)OC)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.499 |
| logD: | 0.499 |
| logSw: | -2.3124 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.952 |
| InChI Key: | CGDPVUIVPVFGBM-NRFANRHFSA-N |