3-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-(3-methylphenyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
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![3-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-(3-methylphenyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/72443d0307be4f329cdb4e5548dc7166.png "3-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-(3-methylphenyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one")
3-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-(3-methylphenyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
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CAS No:
383904-40-3
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Formula:
C22H21ClN4OS2
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Chemical Name:
3-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-(3-methylphenyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
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Synonyms:
C22H21ClN4OS2;STL332912;ZINC13551596;AKOS022130667;1-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-4-(3-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one;383904-40-3
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CAS No:
3-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-(3-methylphenyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one Basic Attributes
457.0 g/mol
456.0845313 g/mol
Computed Properties
Molecular Weight:457.0
XLogP3:5.8
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:456.0845313
Monoisotopic Mass:456.0845313
Topological Polar Surface Area:105
Heavy Atom Count:30
Complexity:694
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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