2-[[5-(4-butoxyphenyl)-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-methylphenyl)acetamide
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![2-[[5-(4-butoxyphenyl)-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-methylphenyl)acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/37d7474eff4e43319de09be6a5c6231e.png "2-[[5-(4-butoxyphenyl)-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-methylphenyl)acetamide")
2-[[5-(4-butoxyphenyl)-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-methylphenyl)acetamide
structure -
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CAS No:
799808-52-9
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Formula:
C30H33N3O3S2
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Chemical Name:
2-[[5-(4-butoxyphenyl)-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-methylphenyl)acetamide
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Synonyms:
ZINC2229261;STK720790;AKOS005529586;MCULE-4191948890;2-{[2-(4-butoxyphenyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-methylphenyl)acetamide;799808-52-9
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CAS No:
2-[[5-(4-butoxyphenyl)-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-methylphenyl)acetamide Basic Attributes
547.7 g/mol
547.19633427 g/mol
Computed Properties
Molecular Weight:547.7
XLogP3:6.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:547.19633427
Monoisotopic Mass:547.19633427
Topological Polar Surface Area:127
Heavy Atom Count:38
Complexity:770
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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