5-(3,5-dimethylpyrazol-1-yl)-12,12-dimethyl-N-(3-methylbutyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
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![5-(3,5-dimethylpyrazol-1-yl)-12,12-dimethyl-N-(3-methylbutyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f19c0adf811544ce912b55b701300cf3.png "5-(3,5-dimethylpyrazol-1-yl)-12,12-dimethyl-N-(3-methylbutyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine")
5-(3,5-dimethylpyrazol-1-yl)-12,12-dimethyl-N-(3-methylbutyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
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CAS No:
850721-05-0
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Formula:
C21H29N5OS
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Chemical Name:
5-(3,5-dimethylpyrazol-1-yl)-12,12-dimethyl-N-(3-methylbutyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
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Synonyms:
MLS000558544;CHEMBL1497588;ZINC2395262;STK621750;AKOS005555067;MCULE-1350154976;SMR000149060;[2-(3,5-Dimethyl-pyrazol-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-( 3-methyl-butyl)-amine;2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-N-(3-methylbutyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine;850721-05-0
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CAS No:
5-(3,5-dimethylpyrazol-1-yl)-12,12-dimethyl-N-(3-methylbutyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine Basic Attributes
399.6 g/mol
399.20928174 g/mol
Computed Properties
Molecular Weight:399.6
XLogP3:5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:399.20928174
Monoisotopic Mass:399.20928174
Topological Polar Surface Area:93.1
Heavy Atom Count:28
Complexity:547
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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