2-[(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-[(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/20220811/79b5b406f590410f8264da48be1d5e24.png "2-[(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-[(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:
844860-63-5
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Formula:
C20H15N3O2S2
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Chemical Name:
2-[(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:
MLS000778678;SMR000415472;(4-Phenyl-2,3-dihydro-1H-6-thia-5,8,10-triaza-cyclopenta[c]fluoren-7-ylsulfanyl)-acetic acid;CHEMBL1425879;BDBM82884;cid_2009311;HMS2765F12;KUC112978N;ZINC2411978;STL304307;AKOS022139232;MCULE-6870825499;KSC-336-025-1;MLS-0307998.0001;[(4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)sulfanyl]acetic acid;844860-63-5
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CAS No:
2-[(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
393.5 g/mol
393.06056908 g/mol
Computed Properties
Molecular Weight:393.5
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:393.06056908
Monoisotopic Mass:393.06056908
Topological Polar Surface Area:130
Heavy Atom Count:27
Complexity:559
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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