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1262985-24-9 | 1-PropanesulfonaMide, N-[3-[[5-broMo-1-(2,6-dichlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-difluorophenyl]-
CAS No: 1262985-24-9 Catalog No: AG000SHE MDL No:MFCD22573286
Product Description
Catalog Number:
AG000SHE
Chemical Name:
1-PropanesulfonaMide, N-[3-[[5-broMo-1-(2,6-dichlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-difluorophenyl]-
CAS Number:
1262985-24-9
Molecular Formula:
C24H16BrCl2F2N3O4S
Molecular Weight:
631.2733
MDL Number:
MFCD22573286
IUPAC Name:
N-[3-[5-bromo-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide
InChI:
InChI=1S/C24H16BrCl2F2N3O4S/c1-2-8-37(35,36)31-18-7-6-17(28)20(21(18)29)22(33)14-11-32(23-13(14)9-12(25)10-30-23)24(34)19-15(26)4-3-5-16(19)27/h3-7,9-11,31H,2,8H2,1H3
InChI Key:
UNMVKSILGFGKIZ-UHFFFAOYSA-N
SMILES:
CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1cn(c2c1cc(Br)cn2)C(=O)c1c(Cl)cccc1Cl)F
EC Number:
806-756-5
Properties
Complexity:
951
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
628.939g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
631.27g/mol
Monoisotopic Mass:
628.939g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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