Chemical Component Summary

NameN-{5-[(7-{[(2R)-2,3-dihydroxypropyl]oxy}-5-oxo-10,11-dihydro-5H-dibenzo[a,d][7]annulen-2-yl)amino]-2-fluorophenyl}benzamide
IdentifiersN-[5-[[9-[(2R)-2,3-bis(oxidanyl)propoxy]-11-oxidanylidene-5,6-dihydrodibenzo[2,1-[7]annulen-3-yl]amino]-2-fluoranyl-phenyl]benzamide
FormulaC31 H27 F N2 O5
Molecular Weight526.555
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)OC[C@@H](CO)O
InChIInChI=1S/C31H27FN2O5/c32-28-13-10-23(15-29(28)34-31(38)20-4-2-1-3-5-20)33-22-9-12-26-21(14-22)7-6-19-8-11-25(16-27(19)30(26)37)39-18-24(36)17-35/h1-5,8-16,24,33,35-36H,6-7,17-18H2,(H,34,38)/t24-/m1/s1
InChIKeyZPBRNNLSMHDHFY-XMMPIXPASA-N

Chemical Details

Formal Charge0
Atom Count66
Chiral Atom Count1
Bond Count70
Aromatic Bond Count24

Related Resource References

Resource NameReference
PubChem 70678406