 Home > Encyclopedia > 5-butylsulfanyl-12,12-dimethyl-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

5-butylsulfanyl-12,12-dimethyl-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

5-butylsulfanyl-12,12-dimethyl-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one structure

CAS No:
351441-10-6
Formula:
C21H24N2O2S2
Chemical Name:
5-butylsulfanyl-12,12-dimethyl-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Synonyms:
2-(butylsulfanyl)-6,6-dimethyl-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one;ZINC2182990;STK058785;AKOS001637458;MCULE-4309612490;AB00097673-01;AJ-292/11989021;SR-01000465258;SR-01000465258-1;2-(butylthio)-6,6-dimethyl-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one;351441-10-6

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5-butylsulfanyl-12,12-dimethyl-4-phenyl-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：

400.6 g/mol

Exact Mass：

400.12792036 g/mol

Characteristics

PSA：

95.4 Å²

Computed Properties

Molecular Weight:400.6
XLogP3:5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:400.12792036
Monoisotopic Mass:400.12792036
Topological Polar Surface Area:95.4
Heavy Atom Count:27
Complexity:589
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-butylsulfanyl-12,12-dimethyl-4-phenyl-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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