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]acetic acid
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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]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/95f377da096b425d9ab159f914755dfd.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]acetic acid")
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]acetic acid
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CAS No:
713113-57-6
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Formula:
C23H26N2O4S2
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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]acetic acid
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Synonyms:
SCHEMBL12713407;ZINC2213976;STK549913;AKOS005477853;MCULE-4683024934;{[2-(4-butoxyphenyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetic acid;713113-57-6
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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]acetic acid Basic Attributes
458.6 g/mol
458.13339966 g/mol
Computed Properties
Molecular Weight:458.6
XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:458.13339966
Monoisotopic Mass:458.13339966
Topological Polar Surface Area:135
Heavy Atom Count:31
Complexity:614
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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