200,000+ products from a single source!
sales@angenechem.com
100279-32-1 | Benzamide, N-[[[4-[(2-chloro-1,1,2-trifluoroethyl)thio]-2-fluorophenyl]amino]carbonyl]-2,6-difluoro-
CAS No: 100279-32-1 Catalog No: AG0001G4 MDL No:
Product Description
Catalog Number:
AG0001G4
Chemical Name:
Benzamide, N-[[[4-[(2-chloro-1,1,2-trifluoroethyl)thio]-2-fluorophenyl]amino]carbonyl]-2,6-difluoro-
CAS Number:
100279-32-1
Molecular Formula:
C16H9ClF6N2O2S
Molecular Weight:
442.7633
IUPAC Name:
N-[[4-(2-chloro-1,1,2-trifluoroethyl)sulfanyl-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide
InChI:
InChI=1S/C16H9ClF6N2O2S/c17-14(21)16(22,23)28-7-4-5-11(10(20)6-7)24-15(27)25-13(26)12-8(18)2-1-3-9(12)19/h1-6,14H,(H2,24,25,26,27)
InChI Key:
LHKLJIKWWMEOSC-UHFFFAOYSA-N
SMILES:
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)SC(C(Cl)F)(F)F
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.998g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
442.76g/mol
Monoisotopic Mass:
441.998g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.