2-[10-(4-ethoxyphenyl)-12-(4-methylphenyl)-7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-11-yl]acetic acid
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![2-[10-(4-ethoxyphenyl)-12-(4-methylphenyl)-7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-11-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/aef3c7024601404297e9435936004162.png "2-[10-(4-ethoxyphenyl)-12-(4-methylphenyl)-7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-11-yl]acetic acid")
2-[10-(4-ethoxyphenyl)-12-(4-methylphenyl)-7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-11-yl]acetic acid
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CAS No:
561012-58-6
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Formula:
C27H25NO3S
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Chemical Name:
2-[10-(4-ethoxyphenyl)-12-(4-methylphenyl)-7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-11-yl]acetic acid
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Synonyms:
SCHEMBL139038;ZINC22461843;AKOS033870361;MCULE-1491357627;Z235214179;2-[10-(4-ethoxyphenyl)-12-(4-methylphenyl)-7-thia-9-azatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-11-yl]acetic acid;2-[6-(4-ethoxyphenyl)-8-(4-methylphenyl)-2,3-dihydro-1H-cyclopenta[2,3]thieno[2,4-c]pyridin-7-yl]acetic acid;561012-58-6
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CAS No:
2-[10-(4-ethoxyphenyl)-12-(4-methylphenyl)-7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-11-yl]acetic acid Basic Attributes
443.6 g/mol
443.15551483 g/mol
Computed Properties
Molecular Weight:443.6
XLogP3:6.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:443.15551483
Monoisotopic Mass:443.15551483
Topological Polar Surface Area:87.7
Heavy Atom Count:32
Complexity:643
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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