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

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

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

CAS No:
384350-00-9
Formula:
C25H24N2O2S2
Chemical Name:
5-benzylsulfanyl-12,12-dimethyl-4-(3-methylphenyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Synonyms:
ZINC1804153;STK839877;AKOS001776522;MCULE-3498217386;2-(benzylsulfanyl)-6,6-dimethyl-3-(3-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one;2-(benzylthio)-6,6-dimethyl-3-(3-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one;384350-00-9

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5-benzylsulfanyl-12,12-dimethyl-4-(3-methylphenyl)-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：

448.6 g/mol

Exact Mass：

448.12792036 g/mol

Characteristics

PSA：

95.4 Å²

Computed Properties

Molecular Weight:448.6
XLogP3:5.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:448.12792036
Monoisotopic Mass:448.12792036
Topological Polar Surface Area:95.4
Heavy Atom Count:31
Complexity:706
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-benzylsulfanyl-12,12-dimethyl-4-(3-methylphenyl)-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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