1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
Compound ID: | S791-0657 |
Compound Name: | 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one |
Molecular Weight: | 477.63 |
Molecular Formula: | C26 H31 N5 O2 S |
Smiles: | Cc1c(C(N2CCCN(Cc3ccncc3)C(CC(NCC2)=O)c2ccccc2)=O)sc(C)n1 |
Stereo: | RACEMIC MIXTURE |
logP: | 1.9324 |
logD: | 1.9079 |
logSw: | -2.3403 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.187 |
InChI Key: | NHVLEYKGYJOTFR-HSZRJFAPSA-N |