200,000+ products from a single source!
sales@angenechem.com
87653-35-8 | Urea, N,N-dimethyl-N'-[4-(6-oxo-3-phenyl-1(6H)-pyridazinyl)butyl]-
CAS No: 87653-35-8 Catalog No: AG004HIL MDL No:
Product Description
Catalog Number:
AG004HIL
Chemical Name:
Urea, N,N-dimethyl-N'-[4-(6-oxo-3-phenyl-1(6H)-pyridazinyl)butyl]-
CAS Number:
87653-35-8
Molecular Formula:
C17H22N4O2
Molecular Weight:
314.3822
IUPAC Name:
1,1-dimethyl-3-[4-(6-oxo-3-phenylpyridazin-1-yl)butyl]urea
InChI:
InChI=1S/C17H22N4O2/c1-20(2)17(23)18-12-6-7-13-21-16(22)11-10-15(19-21)14-8-4-3-5-9-14/h3-5,8-11H,6-7,12-13H2,1-2H3,(H,18,23)
InChI Key:
VKCIAAHBUAKPFQ-UHFFFAOYSA-N
SMILES:
CN(C(=O)NCCCCn1nc(ccc1=O)c1ccccc1)C
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.174g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.389g/mol
Monoisotopic Mass:
314.174g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.