8-(cyclopropanecarbonyl)-1-(2-methylpyridine-3-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(cyclopropanecarbonyl)-1-(2-methylpyridine-3-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
8-(cyclopropanecarbonyl)-1-(2-methylpyridine-3-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
Compound ID: | S791-0358 |
Compound Name: | 8-(cyclopropanecarbonyl)-1-(2-methylpyridine-3-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
Molecular Weight: | 434.54 |
Molecular Formula: | C25 H30 N4 O3 |
Smiles: | Cc1c(cccn1)C(N1CCCN(C(CC(NCC1)=O)c1ccccc1)C(C1CC1)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.3863 |
logD: | 1.386 |
logSw: | -2.0107 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 68.268 |
InChI Key: | IKFGXLPNJXAURT-QFIPXVFZSA-N |