pentyl 2-[(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]acetate
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pentyl 2-[(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]acetate
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CAS No:
840456-81-7
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Formula:
C22H27N3O2S2
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Chemical Name:
pentyl 2-[(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]acetate
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Synonyms:
ZINC9464120;STK721628;AKOS005530416;MCULE-4572823772;840456-81-7;pentyl {[4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetate
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CAS No:
pentyl 2-[(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]acetate Basic Attributes
429.6 g/mol
429.15446946 g/mol
Computed Properties
Molecular Weight:429.6
XLogP3:6.5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:429.15446946
Monoisotopic Mass:429.15446946
Topological Polar Surface Area:119
Heavy Atom Count:29
Complexity:564
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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