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

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

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

CAS No:
488793-73-3
Formula:
C22H21BrN2O2S3
Chemical Name:
5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-12,12-dimethyl-4-prop-2-enyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Synonyms:
C22H21BrN2O2S3;ZINC2341791;STK543421;AKOS005472848;MCULE-4475379116;2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one;488793-73-3

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

Molecular Weight：

521.5 g/mol

Exact Mass：

519.99485 g/mol

Characteristics

PSA：

129 Å²

Computed Properties

Molecular Weight:521.5
XLogP3:5.7
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:519.99485
Monoisotopic Mass:519.99485
Topological Polar Surface Area:129
Heavy Atom Count:30
Complexity:736
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-12,12-dimethyl-4-prop-2-enyl-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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