 Home > Encyclopedia > 5-butylsulfanyl-4-(4-methoxyphenyl)-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-butylsulfanyl-4-(4-methoxyphenyl)-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-butylsulfanyl-4-(4-methoxyphenyl)-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

CAS No:
6146-36-7
Formula:
C22H26N2O3S2
Chemical Name:
5-butylsulfanyl-4-(4-methoxyphenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Synonyms:
2-(butylsulfanyl)-3-(4-methoxyphenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one;6146-36-7;CBMicro_017969;DTXSID00365303;ZINC2183153;CCG-14372;STK043584;AKOS003604144;MCULE-1879508872;BIM-0017968.P001;AJ-292/13049047;351007-11-9

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5-butylsulfanyl-4-(4-methoxyphenyl)-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

Molecular Weight：

430.6 g/mol

Exact Mass：

430.13848504 g/mol

DSSTox ID：

DTXSID00365303

Characteristics

PSA：

105 Å²

Computed Properties

Molecular Weight:430.6
XLogP3:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:430.13848504
Monoisotopic Mass:430.13848504
Topological Polar Surface Area:105
Heavy Atom Count:29
Complexity:634
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-butylsulfanyl-4-(4-methoxyphenyl)-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
Characteristics
Computed Properties

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