 Home > Encyclopedia > 5-[(Z)-3-chlorobut-2-enyl]sulfanyl-12,12-dimethyl-4-(3-methylphenyl)-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

5-[(Z)-3-chlorobut-2-enyl]sulfanyl-12,12-dimethyl-4-(3-methylphenyl)-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

5-[(Z)-3-chlorobut-2-enyl]sulfanyl-12,12-dimethyl-4-(3-methylphenyl)-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one structure

CAS No:
500270-45-1
Formula:
C22H23ClN2OS3
Chemical Name:
5-[(Z)-3-chlorobut-2-enyl]sulfanyl-12,12-dimethyl-4-(3-methylphenyl)-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Synonyms:
STK544712;ZINC13597251;AKOS005474068;2-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-6,6-dimethyl-3-(3-methylphenyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one;500270-45-1

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5-[(Z)-3-chlorobut-2-enyl]sulfanyl-12,12-dimethyl-4-(3-methylphenyl)-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one Basic Attributes

Molecular Weight：

463.1 g/mol

Exact Mass：

462.0661046 g/mol

Characteristics

PSA：

112 Å²

Computed Properties

Molecular Weight:463.1
XLogP3:6.2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:462.0661046
Monoisotopic Mass:462.0661046
Topological Polar Surface Area:112
Heavy Atom Count:29
Complexity:710
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-[(Z)-3-chlorobut-2-enyl]sulfanyl-12,12-dimethyl-4-(3-methylphenyl)-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

Basic Attributes
Characteristics
Computed Properties

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