2-[[11-(2,5-dimethylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
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![2-[[11-(2,5-dimethylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7447070464474ffead34f2fa141bc5e8.png "2-[[11-(2,5-dimethylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide")
2-[[11-(2,5-dimethylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
structure -
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CAS No:
560994-98-1
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Formula:
C21H20F3N3O2S2
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Chemical Name:
2-[[11-(2,5-dimethylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
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Synonyms:
ZINC3326233;AKOS033733837;MCULE-2989650354;AB00720909-01;Z20159274;2-{[11-(2,5-dimethylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}-N-(2,2,2-trifluoroethyl)acetamide;560994-98-1
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CAS No:
2-[[11-(2,5-dimethylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide Basic Attributes
467.5 g/mol
467.09490372 g/mol
Computed Properties
Molecular Weight:467.5
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:467.09490372
Monoisotopic Mass:467.09490372
Topological Polar Surface Area:115
Heavy Atom Count:31
Complexity:748
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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