8-(cyclopropanecarbonyl)-1-[(4-fluorophenoxy)acetyl]-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(cyclopropanecarbonyl)-1-[(4-fluorophenoxy)acetyl]-7-phenyl-1,4,8-triazacycloundecan-5-one
8-(cyclopropanecarbonyl)-1-[(4-fluorophenoxy)acetyl]-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
Compound ID: | S791-0337 |
Compound Name: | 8-(cyclopropanecarbonyl)-1-[(4-fluorophenoxy)acetyl]-7-phenyl-1,4,8-triazacycloundecan-5-one |
Molecular Weight: | 467.54 |
Molecular Formula: | C26 H30 F N3 O4 |
Smiles: | C1CN(CCNC(CC(c2ccccc2)N(C1)C(C1CC1)=O)=O)C(COc1ccc(cc1)F)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.8605 |
logD: | 1.8605 |
logSw: | -2.2458 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.615 |
InChI Key: | RJISEFFBCDPUIF-HSZRJFAPSA-N |