 Home > Encyclopedia > 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone structure

CAS No:
523984-05-6
Formula:
C21H21N3OS2
Chemical Name:
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone
Synonyms:
ZINC3260690;AKOS001057726;MCULE-7789337254;Z20226937;1-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2-{8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraen-3-ylsulfanyl}ethan-1-one;523984-05-6

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1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone Basic Attributes

Molecular Weight：

395.5 g/mol

Exact Mass：

395.11260465 g/mol

Characteristics

PSA：

99.6 Å²

Computed Properties

Molecular Weight:395.5
XLogP3:4.7
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:395.11260465
Monoisotopic Mass:395.11260465
Topological Polar Surface Area:99.6
Heavy Atom Count:27
Complexity:548
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone

Basic Attributes
Characteristics
Computed Properties

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