5-(2-aminoethylsulfanyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
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![5-(2-aminoethylsulfanyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f8882e159adc4c92a257a7f6adc79fa2.png "5-(2-aminoethylsulfanyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one")
5-(2-aminoethylsulfanyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
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CAS No:
351341-41-8
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Formula:
C13H17N3O2S2
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Chemical Name:
5-(2-aminoethylsulfanyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
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Synonyms:
ZINC2314754;STK741126;AKOS005523386;MCULE-6751295442;2-[(2-aminoethyl)sulfanyl]-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one;351341-41-8
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CAS No:
5-(2-aminoethylsulfanyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one Basic Attributes
311.4 g/mol
311.07621914 g/mol
Computed Properties
Molecular Weight:311.4
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:311.07621914
Monoisotopic Mass:311.07621914
Topological Polar Surface Area:130
Heavy Atom Count:20
Complexity:441
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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