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142287-34-1 | Pyrimido[4,5-d]pyrimidin-4(1H)-one, 3-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-2,3-dihydro-7-methyl-1-phenyl-2-thioxo-
CAS No: 142287-34-1 Catalog No: AG001I4C MDL No:
Product Description
Catalog Number:
AG001I4C
Chemical Name:
Pyrimido[4,5-d]pyrimidin-4(1H)-one, 3-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-2,3-dihydro-7-methyl-1-phenyl-2-thioxo-
CAS Number:
142287-34-1
Molecular Formula:
C26H27ClN6OS
Molecular Weight:
507.0502
IUPAC Name:
3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-7-methyl-1-phenyl-2-sulfanylidenepyrimido[4,5-d]pyrimidin-4-one
InChI:
InChI=1S/C26H27ClN6OS/c1-19-28-18-23-24(29-19)33(21-8-3-2-4-9-21)26(35)32(25(23)34)12-6-11-30-13-15-31(16-14-30)22-10-5-7-20(27)17-22/h2-5,7-10,17-18H,6,11-16H2,1H3
InChI Key:
OBBCRROUKFAFCR-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)N1CCN(CC1)CCCn1c(=O)c2cnc(nc2n(c1=S)c1ccccc1)C
Properties
Complexity:
743
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
506.166g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
507.053g/mol
Monoisotopic Mass:
506.166g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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