2-[(14-methylsulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)sulfanyl]acetic acid
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![2-[(14-methylsulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)sulfanyl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/96e246a9eb004575bdef2ba3644911d0.png "2-[(14-methylsulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)sulfanyl]acetic acid")
2-[(14-methylsulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)sulfanyl]acetic acid
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CAS No:
848734-95-2
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Formula:
C21H17N3O2S3
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Chemical Name:
2-[(14-methylsulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)sulfanyl]acetic acid
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Synonyms:
MLS000778679;SMR000415473;CHEMBL1478587;BDBM51271;cid_2027019;HMS2764D04;KUC112434N;ZINC2430890;STL304355;AKOS022120900;MCULE-1934113666;KSC-285-130-1;(9-Methylsulfanyl-4-phenyl-2,3-dihydro-1H-6-thia-5,8,10-triaza-cyclopenta[c]fluoren-7-ylsulfanyl)-acetic acid;(9-Methylsulfanyl-4-phenyl-2,3-dihydro-1H-6-thia-5,8,10-triaza-cyclopenta[c]fluoren-7-ylsulfanyl)-acetic acid;{[9-(methylsulfanyl)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetic acid;848734-95-2
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CAS No:
2-[(14-methylsulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)sulfanyl]acetic acid Basic Attributes
439.6 g/mol
439.04829031 g/mol
Computed Properties
Molecular Weight:439.6
XLogP3:5.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:439.04829031
Monoisotopic Mass:439.04829031
Topological Polar Surface Area:155
Heavy Atom Count:29
Complexity:606
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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