4-(3-chlorophenyl)-5-(3-hydroxypropylamino)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
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![4-(3-chlorophenyl)-5-(3-hydroxypropylamino)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4e037f86171b4c87995c9a89c004f2c0.png "4-(3-chlorophenyl)-5-(3-hydroxypropylamino)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one")
4-(3-chlorophenyl)-5-(3-hydroxypropylamino)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
structure -
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CAS No:
898608-28-1
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Formula:
C20H22ClN3O2S
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Chemical Name:
4-(3-chlorophenyl)-5-(3-hydroxypropylamino)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
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Synonyms:
ZINC2364548;STK578497;AKOS005502619;MCULE-7899618103;3-(3-chlorophenyl)-2-[(3-hydroxypropyl)amino]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one;898608-28-1
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CAS No:
4-(3-chlorophenyl)-5-(3-hydroxypropylamino)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one Basic Attributes
403.9 g/mol
403.1121258 g/mol
Computed Properties
Molecular Weight:403.9
XLogP3:4.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:403.1121258
Monoisotopic Mass:403.1121258
Topological Polar Surface Area:93.2
Heavy Atom Count:27
Complexity:575
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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