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147296-98-8 | Pyrido[2,3-d]pyrimidine-5-carboxylic acid, 2-[[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]thio]-3,4-dihydro-3,7-dimethyl-4-oxo-, ethyl ester
CAS No: 147296-98-8 Catalog No: AG001ERD MDL No:
Product Description
Catalog Number:
AG001ERD
Chemical Name:
Pyrido[2,3-d]pyrimidine-5-carboxylic acid, 2-[[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]thio]-3,4-dihydro-3,7-dimethyl-4-oxo-, ethyl ester
CAS Number:
147296-98-8
Molecular Formula:
C25H30ClN5O3S
Molecular Weight:
516.0554
IUPAC Name:
ethyl 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]-3,7-dimethyl-4-oxopyrido[2,3-d]pyrimidine-5-carboxylate
InChI:
InChI=1S/C25H30ClN5O3S/c1-4-34-24(33)20-15-17(2)27-22-21(20)23(32)29(3)25(28-22)35-14-6-9-30-10-12-31(13-11-30)19-8-5-7-18(26)16-19/h5,7-8,15-16H,4,6,9-14H2,1-3H3
InChI Key:
DEAJGZDOEORGFK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(C)nc2c1c(=O)n(c(n2)SCCCN1CCN(CC1)c1cccc(c1)Cl)C
Properties
Complexity:
778
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
515.176g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
516.057g/mol
Monoisotopic Mass:
515.176g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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