Mannich Bases

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 36
Total Number of Articles : 30
PubChem 9567537
Molecular Formula

C40H38F2N8O7

SMILES

COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)/N=C\3/C4=C(C=CC(=C4)F)N(C3=O)CN5CCN(CC5)C6=C(C=C7C(=C6)N(C=C(C7=O)C(=O)O)C8CC8)F

InChI

InChI=1S/C40H38F2N8O7/c1-55-32-13-21(14-33(56-2)36(32)57-3)12-22-18-44-40(46-37(22)43)45-34-25-15-23(41)4-7-29(25)50(38(34)52)20-47-8-10-48(11-9-47)31-17-30-26(16-28(31)42)35(51)27(39(53)54)19-49(30)24-5-6-24/h4,7,13-19,24H,5-6,8-12,20H2,1-3H3,(H,53,54)(H2,43,44,46)/b45-34-

synonyms
  • MANNICH BASES
  • NSC730335
  • CHEMBL1096326
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Properties
Property Value
MW 780.8 g/mol
HBD 2
HBA 16
Rotatable Bond Count 11
Exact Mass 780.28315191 g/mol
Monoisotopic Mass 780.28315191 g/mol
Heavy Atom Count 57
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 1550
xlogp 3.1
Topological Polar Surface Area 176