2-[(5-benzylsulfanyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
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![2-[(5-benzylsulfanyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8ca2252ebd4e486098c82958eaca1d34.png "2-[(5-benzylsulfanyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide")
2-[(5-benzylsulfanyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
structure -
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CAS No:
578720-79-3
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Formula:
C27H27N3O3S3
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Chemical Name:
2-[(5-benzylsulfanyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
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Synonyms:
ZINC2389300;STK720796;AKOS005529704;MCULE-2395415665;2-{[2-(benzylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide;578720-79-3
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CAS No:
2-[(5-benzylsulfanyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide Basic Attributes
537.7 g/mol
537.12145525 g/mol
Computed Properties
Molecular Weight:537.7
XLogP3:6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:537.12145525
Monoisotopic Mass:537.12145525
Topological Polar Surface Area:152
Heavy Atom Count:36
Complexity:730
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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