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2-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-4-one

2-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-4-one structure

CAS No:
536716-24-2
Formula:
C18H12F3N3OS
Chemical Name:
2-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-4-one
Synonyms:
536716-24-2;2-(methylsulfanyl)-3-[3-(trifluoromethyl)phenyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one;2-(methylthio)-3-(3-(trifluoromethyl)phenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one;ZINC2720951;AKOS002052526;MCULE-5751964822;2-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-4-one;EU-0089074;F0580-0997;2-(methylthio)-3-[3-(trifluoromethyl)phenyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one

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2-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-4-one Basic Attributes

Molecular Weight：

375.4 g/mol

Exact Mass：

375.06531767 g/mol

Characteristics

PSA：

73.8 Å²

Computed Properties

Molecular Weight:375.4
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:375.06531767
Monoisotopic Mass:375.06531767
Topological Polar Surface Area:73.8
Heavy Atom Count:26
Complexity:597
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-4-one

Basic Attributes
Characteristics
Computed Properties

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