5-(3,5-dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-triene-3-thione
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![5-(3,5-dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-triene-3-thione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/45e4a15dfeda4a1a8911d39ac4f98af8.png "5-(3,5-dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-triene-3-thione")
5-(3,5-dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-triene-3-thione
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CAS No:
958984-06-0
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Formula:
C16H18N4OS2
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Chemical Name:
5-(3,5-dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-triene-3-thione
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Synonyms:
MLS000333629;ZINC6062689;STK974036;STL346772;AKOS022125947;MCULE-4468218358;SMR000437760;2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-4-thione;2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-4-thiol;2-(3,5-Dimethyl-pyrazol-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-4-thi ol;958984-06-0
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CAS No:
5-(3,5-dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-triene-3-thione Basic Attributes
346.5 g/mol
346.09220356 g/mol
Computed Properties
Molecular Weight:346.5
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:346.09220356
Monoisotopic Mass:346.09220356
Topological Polar Surface Area:112
Heavy Atom Count:23
Complexity:552
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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