2-[(14-methylsulfanyl-7-propan-2-yl-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-propan-2-yl-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/20220811/9e991387718841ee88049f3d845bd51a.png "2-[(14-methylsulfanyl-7-propan-2-yl-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-propan-2-yl-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 -
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CAS No:
843671-91-0
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Formula:
C18H19N3O2S3
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Chemical Name:
2-[(14-methylsulfanyl-7-propan-2-yl-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:
KUC112927N;ZINC2409922;STL304315;AKOS022120901;MCULE-1325315037;KSC-336-013-1;{[9-(methylsulfanyl)-4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetic acid;843671-91-0
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CAS No:
2-[(14-methylsulfanyl-7-propan-2-yl-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
405.6 g/mol
405.06394038 g/mol
Computed Properties
Molecular Weight:405.6
XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:405.06394038
Monoisotopic Mass:405.06394038
Topological Polar Surface Area:155
Heavy Atom Count:26
Complexity:538
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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