200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 129112-70-5
129112-70-5 | Quinazoline, 4-phenoxy-2-[4-(2-propen-1-yl)-1-piperazinyl]-, (2E)-2-butenedioate (1:1)
CAS No: 129112-70-5 Catalog No: AG000YVK MDL No:
Product Description
Catalog Number:
AG000YVK
Chemical Name:
Quinazoline, 4-phenoxy-2-[4-(2-propen-1-yl)-1-piperazinyl]-, (2E)-2-butenedioate (1:1)
CAS Number:
129112-70-5
Molecular Formula:
C25H26N4O5
Molecular Weight:
462.4977
IUPAC Name:
(E)-but-2-enedioic acid;4-phenoxy-2-(4-prop-2-enylpiperazin-1-yl)quinazoline
InChI:
InChI=1S/C21H22N4O.C4H4O4/c1-2-12-24-13-15-25(16-14-24)21-22-19-11-7-6-10-18(19)20(23-21)26-17-8-4-3-5-9-17;5-3(6)1-2-4(7)8/h2-11H,1,12-16H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChI Key:
LWGOPIGRFQXHCB-WLHGVMLRSA-N
SMILES:
OC(=O)/C=C/C(=O)O.C=CCN1CCN(CC1)c1nc(Oc2ccccc2)c2c(n1)cccc2
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
462.19g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
462.506g/mol
Monoisotopic Mass:
462.19g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.