200,000+ products from a single source!
sales@angenechem.com
77301-15-6 | Thiourea,N-[2-(6-bromo-2-ethyl-4-oxo-3(4H)-quinazolinyl)ethyl]-N-(1-methylethyl)-N'-phenyl-
CAS No: 77301-15-6 Catalog No: AG005CZT MDL No:
Product Description
Catalog Number:
AG005CZT
Chemical Name:
Thiourea,N-[2-(6-bromo-2-ethyl-4-oxo-3(4H)-quinazolinyl)ethyl]-N-(1-methylethyl)-N'-phenyl-
CAS Number:
77301-15-6
Molecular Formula:
C22H25BrN4OS
Molecular Weight:
473.4291
IUPAC Name:
1-[2-(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)ethyl]-3-phenyl-1-propan-2-ylthiourea
InChI:
InChI=1S/C22H25BrN4OS/c1-4-20-25-19-11-10-16(23)14-18(19)21(28)27(20)13-12-26(15(2)3)22(29)24-17-8-6-5-7-9-17/h5-11,14-15H,4,12-13H2,1-3H3,(H,24,29)
InChI Key:
OAROLKLINOYIGY-UHFFFAOYSA-N
SMILES:
CCc1nc2ccc(cc2c(=O)n1CCN(C(=S)Nc1ccccc1)C(C)C)Br
Properties
Complexity:
620
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.093g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
473.433g/mol
Monoisotopic Mass:
472.093g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.