200,000+ products from a single source!
sales@angenechem.com
332154-89-9 | 2-[5-(2-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(2-methyl-4-nitro-phenyl)-propionamide
CAS No: 332154-89-9 Catalog No: AG01EV4J MDL No:
Product Description
Catalog Number:
AG01EV4J
Chemical Name:
2-[5-(2-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(2-methyl-4-nitro-phenyl)-propionamide
CAS Number:
332154-89-9
Molecular Formula:
C18H15BrN4O4S
Molecular Weight:
463.3051
IUPAC Name:
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methyl-4-nitrophenyl)propanamide
InChI:
InChI=1S/C18H15BrN4O4S/c1-10-9-12(23(25)26)7-8-15(10)20-16(24)11(2)28-18-22-21-17(27-18)13-5-3-4-6-14(13)19/h3-9,11H,1-2H3,(H,20,24)
InChI Key:
VBIDDTUMKLJTJB-UHFFFAOYSA-N
SMILES:
O=C(C(Sc1nnc(o1)c1ccccc1Br)C)Nc1ccc(cc1C)[N+](=O)[O-]
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
462g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
463.306g/mol
Monoisotopic Mass:
462g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.