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-(3-chlorophenyl)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-(3-chlorophenyl)acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ab00a08b704c47ccad45faf991dd9d25.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-(3-chlorophenyl)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-(3-chlorophenyl)acetamide
structure -
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CAS No:
840511-47-9
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Formula:
C26H24ClN3O2S3
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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-(3-chlorophenyl)acetamide
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Synonyms:
ZINC2265671;STK720802;AKOS005529776;MCULE-4756918687;2-{[2-(benzylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3-chlorophenyl)acetamide;840511-47-9
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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-(3-chlorophenyl)acetamide Basic Attributes
542.1 g/mol
541.0719182 g/mol
Computed Properties
Molecular Weight:542.1
XLogP3:6.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:541.0719182
Monoisotopic Mass:541.0719182
Topological Polar Surface Area:143
Heavy Atom Count:35
Complexity:726
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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