5-benzylsulfanyl-N-(3-methoxypropyl)-12,12-dimethyl-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-benzylsulfanyl-N-(3-methoxypropyl)-12,12-dimethyl-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/20220812/18beec34397c4c20824c3f9a29557a98.png "5-benzylsulfanyl-N-(3-methoxypropyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine")
5-benzylsulfanyl-N-(3-methoxypropyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
structure -
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CAS No:
713113-30-5
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Formula:
C22H27N3O2S2
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Chemical Name:
5-benzylsulfanyl-N-(3-methoxypropyl)-12,12-dimethyl-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:
ZINC2867409;STK829849;AKOS001775918;CCG-124765;MCULE-2571297501;2-(benzylsulfanyl)-N-(3-methoxypropyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine;2-(benzylthio)-N-(3-methoxypropyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine;713113-30-5
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CAS No:
5-benzylsulfanyl-N-(3-methoxypropyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine Basic Attributes
429.6 g/mol
429.15446946 g/mol
Computed Properties
Molecular Weight:429.6
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:429.15446946
Monoisotopic Mass:429.15446946
Topological Polar Surface Area:110
Heavy Atom Count:29
Complexity:518
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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