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160031-36-7 | Pyrido[2,3-d]pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-7-methyl-2,4-dioxo-3-phenyl-1-[4-(4-phenyl-1-piperazinyl)butyl]-, ethyl ester
CAS No: 160031-36-7 Catalog No: AG001RMC MDL No:
Product Description
Catalog Number:
AG001RMC
Chemical Name:
Pyrido[2,3-d]pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-7-methyl-2,4-dioxo-3-phenyl-1-[4-(4-phenyl-1-piperazinyl)butyl]-, ethyl ester
CAS Number:
160031-36-7
Molecular Formula:
C31H35N5O4
Molecular Weight:
541.6407
IUPAC Name:
ethyl 7-methyl-2,4-dioxo-3-phenyl-1-[4-(4-phenylpiperazin-1-yl)butyl]pyrido[2,3-d]pyrimidine-5-carboxylate
InChI:
InChI=1S/C31H35N5O4/c1-3-40-30(38)26-22-23(2)32-28-27(26)29(37)36(25-14-8-5-9-15-25)31(39)35(28)17-11-10-16-33-18-20-34(21-19-33)24-12-6-4-7-13-24/h4-9,12-15,22H,3,10-11,16-21H2,1-2H3
InChI Key:
CEIALHUCRRVMCS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(C)nc2c1c(=O)n(c(=O)n2CCCCN1CCN(CC1)c1ccccc1)c1ccccc1
NSC Number:
683339
Properties
Complexity:
866
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
541.269g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
541.652g/mol
Monoisotopic Mass:
541.269g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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