200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 1001413-87-1
1001413-87-1 | 3-PyridinecarboxaMide, 1-[(3,4-difluorophenyl)Methyl]-1,2-dihydro-2-oxo-N-(2-thienylMethyl)-
CAS No: 1001413-87-1 Catalog No: AG00013E MDL No:
Product Description
Catalog Number:
AG00013E
Chemical Name:
3-PyridinecarboxaMide, 1-[(3,4-difluorophenyl)Methyl]-1,2-dihydro-2-oxo-N-(2-thienylMethyl)-
CAS Number:
1001413-87-1
Molecular Formula:
C18H14F2N2O2S
Molecular Weight:
360.3778
IUPAC Name:
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
InChI:
InChI=1S/C18H14F2N2O2S/c19-15-6-5-12(9-16(15)20)11-22-7-1-4-14(18(22)24)17(23)21-10-13-3-2-8-25-13/h1-9H,10-11H2,(H,21,23)
InChI Key:
PHBCGVYCQGTFNF-UHFFFAOYSA-N
SMILES:
O=C(c1cccn(c1=O)Cc1ccc(c(c1)F)F)NCc1cccs1
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.074g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.379g/mol
Monoisotopic Mass:
360.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.