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]acetic acid
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![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]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1e13c8940c534a8190fa9e954bf820ac.png "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]acetic acid")
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]acetic acid
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CAS No:
845631-84-7
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Formula:
C17H17N3O2S2
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Chemical Name:
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]acetic acid
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Synonyms:
ZINC2413633;STL304292;AKOS022100312;MCULE-9547676702;{[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;845631-84-7
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CAS No:
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]acetic acid Basic Attributes
359.5 g/mol
359.07621914 g/mol
Computed Properties
Molecular Weight:359.5
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:359.07621914
Monoisotopic Mass:359.07621914
Topological Polar Surface Area:130
Heavy Atom Count:24
Complexity:493
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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