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2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]-7-methyl-1-phenylpyrimido[4,5-d]pyrimidin-4-one

2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]-7-methyl-1-phenylpyrimido[4,5-d]pyrimidin-4-one structure

CAS No:
142287-38-5
Formula:
C26H27ClN6OS
Chemical Name:
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]-7-methyl-1-phenylpyrimido[4,5-d]pyrimidin-4-one
Synonyms:
Pyrimido(4,5-d)pyrimidin-4(1H)-one,2-((3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)thio)-7-methyl-1-phenyl;

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2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]-7-methyl-1-phenylpyrimido[4,5-d]pyrimidin-4-one Basic Attributes

Molecular Weight：

507.05000

Exact Mass：

506.1655584

DSSTox ID：

DTXSID50162006

Characteristics

PSA：

92.45000

XLogP3：

4.44480

Density：

1.35g/cm3

Boiling Point：

695ºC

Flash Point：

371.4ºC

Refractive Index：

1.692

Vapor Pressure：

6.41E-19mmHg at 25°C

Computed Properties

Molecular Weight:507.1
XLogP3:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:506.1655584
Monoisotopic Mass:506.1655584
Topological Polar Surface Area:90.2
Heavy Atom Count:35
Complexity:741
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]-7-methyl-1-phenylpyrimido[4,5-d]pyrimidin-4-one

Basic Attributes
Characteristics
Computed Properties

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