1-(2,6-dimethoxypyridine-3-carbonyl)-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-(2,6-dimethoxypyridine-3-carbonyl)-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
1-(2,6-dimethoxypyridine-3-carbonyl)-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
Compound ID: | S791-0009 |
Compound Name: | 1-(2,6-dimethoxypyridine-3-carbonyl)-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
Molecular Weight: | 490.58 |
Molecular Formula: | C23 H30 N4 O6 S |
Smiles: | COc1ccc(C(N2CCCN(C(CC(NCC2)=O)c2ccccc2)S(C)(=O)=O)=O)c(n1)OC |
Stereo: | RACEMIC MIXTURE |
logP: | 1.5381 |
logD: | 1.5381 |
logSw: | -2.6495 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 98.085 |
InChI Key: | HKHLXBXLLFCGAD-IBGZPJMESA-N |