 Home > Encyclopedia > 5-(4-butoxyphenyl)-12,12-dimethyl-3-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene

5-(4-butoxyphenyl)-12,12-dimethyl-3-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene

5-(4-butoxyphenyl)-12,12-dimethyl-3-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene structure

CAS No:
799800-05-8
Formula:
C22H26N2O2S2
Chemical Name:
5-(4-butoxyphenyl)-12,12-dimethyl-3-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Synonyms:
ZINC2222789;STK844637;AKOS001775583;MCULE-3771183675;2-(4-butoxyphenyl)-6,6-dimethyl-4-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine;2-(4-butoxyphenyl)-6,6-dimethyl-4-(methylthio)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine;799800-05-8

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5-(4-butoxyphenyl)-12,12-dimethyl-3-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene Basic Attributes

Molecular Weight：

414.6 g/mol

Exact Mass：

414.14357042 g/mol

Characteristics

PSA：

97.8 Å²

Computed Properties

Molecular Weight:414.6
XLogP3:5.6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:414.14357042
Monoisotopic Mass:414.14357042
Topological Polar Surface Area:97.8
Heavy Atom Count:28
Complexity:513
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(4-butoxyphenyl)-12,12-dimethyl-3-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene

Basic Attributes
Characteristics
Computed Properties

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