7-butyl-14-sulfanylidene-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16)-tetraen-12-one
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![7-butyl-14-sulfanylidene-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16)-tetraen-12-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1a504ae1b13a4d0a87a4651203e6a5e6.png "7-butyl-14-sulfanylidene-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16)-tetraen-12-one")
7-butyl-14-sulfanylidene-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16)-tetraen-12-one
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CAS No:
672281-18-4
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Formula:
C16H17N3OS2
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Chemical Name:
7-butyl-14-sulfanylidene-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16)-tetraen-12-one
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Synonyms:
Oprea1_191399;MLS000778190;CHEMBL1698270;HMS2755N09;ZINC9046175;STK563896;AKOS005489712;AKOS030520899;MCULE-7348907538;SMR000414963;4-Butyl-9-mercapto-2,3-dihydro-1H,8H-6-thia-5,8,10-triaza-cyclopenta[c]fluoren-7-one;4-butyl-9-mercapto-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one;4-butyl-9-sulfanyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-ol;672281-18-4
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CAS No:
7-butyl-14-sulfanylidene-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16)-tetraen-12-one Basic Attributes
331.5 g/mol
331.08130452 g/mol
Computed Properties
Molecular Weight:331.5
XLogP3:4.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:331.08130452
Monoisotopic Mass:331.08130452
Topological Polar Surface Area:114
Heavy Atom Count:22
Complexity:486
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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