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ethyl 5-amino-1-(7-methylpyrimido[5,4-c]cinnolin-4-yl)-3-methylsulfanylpyrazole-4-carboxylate

ethyl 5-amino-1-(7-methylpyrimido[5,4-c]cinnolin-4-yl)-3-methylsulfanylpyrazole-4-carboxylate structure

CAS No:
159418-11-8
Formula:
C18H17N7O2S
Chemical Name:
ethyl 5-amino-1-(7-methylpyrimido[5,4-c]cinnolin-4-yl)-3-methylsulfanylpyrazole-4-carboxylate
Synonyms:
Pyrimido[5,4-c]cinnoline,1H-pyrazole-4-carboxylic acid deriv.; 1H-Pyrazole-4-carboxylic acid,5-amino-1-(7-methylpyrimido(5,4-c)cinnolin-4-yl)-3-(methylthio)-,ethyl ester;

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ethyl 5-amino-1-(7-methylpyrimido[5,4-c]cinnolin-4-yl)-3-methylsulfanylpyrazole-4-carboxylate Basic Attributes

Molecular Weight：

395.43800

Exact Mass：

395.11644398

DSSTox ID：

DTXSID20166652

Characteristics

PSA：

147.00000

XLogP3：

3.12910

Density：

1.55g/cm3

Boiling Point：

651.1ºC

Flash Point：

347.6ºC

Refractive Index：

1.769

Vapor Pressure：

7.75E-17mmHg at 25°C

Computed Properties

Molecular Weight:395.4
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:395.11644398
Monoisotopic Mass:395.11644398
Topological Polar Surface Area:147
Heavy Atom Count:28
Complexity:570
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 5-amino-1-(7-methylpyrimido[5,4-c]cinnolin-4-yl)-3-methylsulfanylpyrazole-4-carboxylate

Basic Attributes
Characteristics
Computed Properties
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