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1959537-86-0 | FT827
CAS No: 1959537-86-0 Catalog No: AG01FNFF MDL No:
Product Description
Catalog Number:
AG01FNFF
Chemical Name:
FT827
CAS Number:
1959537-86-0
Molecular Formula:
C27H28N6O5S
Molecular Weight:
548.6134
IUPAC Name:
N-[2-[4-[4-hydroxy-4-[(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)methyl]piperidine-1-carbonyl]phenyl]phenyl]ethenesulfonamide
InChI:
InChI=1S/C27H28N6O5S/c1-3-39(37,38)30-23-7-5-4-6-21(23)19-8-10-20(11-9-19)25(34)32-14-12-27(36,13-15-32)17-33-18-28-24-22(26(33)35)16-29-31(24)2/h3-11,16,18,30,36H,1,12-15,17H2,2H3
InChI Key:
GFNJQQBUZURQMA-UHFFFAOYSA-N
SMILES:
C=CS(=O)(=O)Nc1ccccc1c1ccc(cc1)C(=O)N1CCC(CC1)(O)Cn1cnc2c(c1=O)cnn2C
Properties
Complexity:
1060
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
548.184g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
548.618g/mol
Monoisotopic Mass:
548.184g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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