2-[(7-benzylsulfanyl-14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]-N-phenylacetamide
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![2-[(7-benzylsulfanyl-14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]-N-phenylacetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0dbbed748a18432d8b51a22c01a29cf7.png "2-[(7-benzylsulfanyl-14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]-N-phenylacetamide")
2-[(7-benzylsulfanyl-14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]-N-phenylacetamide
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CAS No:
578746-93-7
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Formula:
C27H25N5O2S3
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Chemical Name:
2-[(7-benzylsulfanyl-14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]-N-phenylacetamide
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Synonyms:
ZINC2371073;STK720345;AKOS005529147;MCULE-1102008518;2-{[5-(benzylsulfanyl)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-phenylacetamide;578746-93-7
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CAS No:
2-[(7-benzylsulfanyl-14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]-N-phenylacetamide Basic Attributes
547.7 g/mol
547.11703858 g/mol
Computed Properties
Molecular Weight:547.7
XLogP3:6.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:547.11703858
Monoisotopic Mass:547.11703858
Topological Polar Surface Area:160
Heavy Atom Count:37
Complexity:794
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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