8-(methanesulfonyl)-1-(6-methylpyridine-3-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(methanesulfonyl)-1-(6-methylpyridine-3-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
8-(methanesulfonyl)-1-(6-methylpyridine-3-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0043 |
| Compound Name: | 8-(methanesulfonyl)-1-(6-methylpyridine-3-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C22 H28 N4 O4 S |
| Smiles: | Cc1ccc(cn1)C(N1CCCN(C(CC(NCC1)=O)c1ccccc1)S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5967 |
| logD: | 0.5964 |
| logSw: | -2.1898 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.667 |
| InChI Key: | KBIWFNGACZKIIO-FQEVSTJZSA-N |