2-[[12,12-dimethyl-3-oxo-4-(2-phenylethyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetamide
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![2-[[12,12-dimethyl-3-oxo-4-(2-phenylethyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0c85891e849f49ccb7b8ed59bf11b57d.png "2-[[12,12-dimethyl-3-oxo-4-(2-phenylethyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetamide")
2-[[12,12-dimethyl-3-oxo-4-(2-phenylethyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetamide
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CAS No:
351162-47-5
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Formula:
C21H23N3O3S2
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Chemical Name:
2-[[12,12-dimethyl-3-oxo-4-(2-phenylethyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetamide
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Synonyms:
2-{[6,6-dimethyl-4-oxo-3-(2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide;CBMicro_018127;Cambridge id 6141811;ZINC2281769;CCG-14347;STK831057;AKOS000549638;MCULE-2726719272;BIM-0017964.P001;ST51031671;AJ-292/15366009;SR-01000454621;SR-01000454621-1;2-[6,6-dimethyl-4-oxo-3-(2-phenylethyl)-3,5,6-trihydro-8H-pyrimidino[5',4'-4,5 ]thiopheno[2,3-c]pyran-2-ylthio]acetamide;351162-47-5
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CAS No:
2-[[12,12-dimethyl-3-oxo-4-(2-phenylethyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetamide Basic Attributes
429.6 g/mol
429.11808395 g/mol
Computed Properties
Molecular Weight:429.6
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:429.11808395
Monoisotopic Mass:429.11808395
Topological Polar Surface Area:139
Heavy Atom Count:29
Complexity:678
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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