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Catalog Number
ACMA00016672
Product Name
F46
Category
Polymers
IUPAC Name
N-[2-fluoro-5-[[9-(2-morpholin-4-ylethoxy)-11-oxo-6H-benzo[c][1]benzoxepin-3-yl]amino]phenyl]benzamide
Molecular Weight
567.6g/mol
Molecular Formula
C33H30FN3O5
Canonical SMILES
C1COCCN1CCOC2=CC3=C(COC4=C(C3=O)C=CC(=C4)NC5=CC(=C(C=C5)F)NC(=O)C6=CC=CC=C6)C=C2
InChI
InChI=1S/C33H30FN3O5/c34-29-11-8-24(18-30(29)36-33(39)22-4-2-1-3-5-22)35-25-7-10-27-31(19-25)42-21-23-6-9-26(20-28(23)32(27)38)41-17-14-37-12-15-40-16-13-37/h1-11,18-20,35H,12-17,21H2,(H,36,39)
InChI Key
OPUXVIDSMSFXIU-UHFFFAOYSA-N
Complexity
897
Covalently-Bonded Unit Count
1
Exact Mass
567.216949g/mol
Formal Charge
0
Heavy Atom Count
42
Monoisotopic Mass
567.216949g/mol
Rotatable Bond Count
8
XLogP3
5
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