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-(2-phenylethyl)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-(2-phenylethyl)acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8ec48d7c13794055ae37f44291610e52.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-(2-phenylethyl)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-(2-phenylethyl)acetamide
structure -
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CAS No:
578004-12-3
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Formula:
C28H29N3O2S3
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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-(2-phenylethyl)acetamide
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Synonyms:
ZINC2369490;STK557231;AKOS005483160;MCULE-8246107086;2-{[2-(benzylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide;578004-12-3
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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-(2-phenylethyl)acetamide Basic Attributes
535.7 g/mol
535.14219070 g/mol
Computed Properties
Molecular Weight:535.7
XLogP3:6.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:535.14219070
Monoisotopic Mass:535.14219070
Topological Polar Surface Area:143
Heavy Atom Count:36
Complexity:714
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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