 Home > Encyclopedia > 2-[(E)-3-chlorobut-2-enyl]sulfanyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

2-[(E)-3-chlorobut-2-enyl]sulfanyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

2-[(E)-3-chlorobut-2-enyl]sulfanyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one structure

CAS No:
370572-26-2
Formula:
C21H21ClN2OS2
Chemical Name:
2-[(E)-3-chlorobut-2-enyl]sulfanyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Synonyms:
ZINC2316343;STK940370;AKOS005669277;2-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-(3-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one;370572-26-2

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2-[(E)-3-chlorobut-2-enyl]sulfanyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Basic Attributes

Molecular Weight：

417.0 g/mol

Exact Mass：

416.0783833 g/mol

Characteristics

PSA：

86.2 Å²

Computed Properties

Molecular Weight:417.0
XLogP3:6.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:416.0783833
Monoisotopic Mass:416.0783833
Topological Polar Surface Area:86.2
Heavy Atom Count:27
Complexity:638
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(E)-3-chlorobut-2-enyl]sulfanyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Basic Attributes
Characteristics
Computed Properties

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