200,000+ products from a single source!
sales@angenechem.com
444155-83-3 | N-(2-Bromo-4-methyl-phenyl)-2-(2-phenyl-benzo[h]quinazolin-4-ylsulfanyl)-acetamide
CAS No: 444155-83-3 Catalog No: AG01F3PH MDL No:
Product Description
Catalog Number:
AG01F3PH
Chemical Name:
N-(2-Bromo-4-methyl-phenyl)-2-(2-phenyl-benzo[h]quinazolin-4-ylsulfanyl)-acetamide
CAS Number:
444155-83-3
Molecular Formula:
C27H20BrN3OS
Molecular Weight:
514.4362
IUPAC Name:
N-(2-bromo-4-methylphenyl)-2-(2-phenylbenzo[h]quinazolin-4-yl)sulfanylacetamide
InChI:
InChI=1S/C27H20BrN3OS/c1-17-11-14-23(22(28)15-17)29-24(32)16-33-27-21-13-12-18-7-5-6-10-20(18)25(21)30-26(31-27)19-8-3-2-4-9-19/h2-15H,16H2,1H3,(H,29,32)
InChI Key:
QOVCZZYWSBTBQO-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1Br)C)CSc1nc(nc2c1ccc1c2cccc1)c1ccccc1
Properties
Complexity:
659
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
513.051g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
514.441g/mol
Monoisotopic Mass:
513.051g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.