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

CAS No:
374095-92-8
Formula:
C22H26N2O2S2
Chemical Name:
5-benzylsulfanyl-12,12-dimethyl-4-(2-methylpropyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Synonyms:
Oprea1_852895;ZINC2283600;STK526716;AKOS005460400;MCULE-9626001451;2-(benzylsulfanyl)-6,6-dimethyl-3-(2-methylpropyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one;374095-92-8

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5-benzylsulfanyl-12,12-dimethyl-4-(2-methylpropyl)-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：

414.6 g/mol

Exact Mass：

414.14357042 g/mol

Characteristics

PSA：

95.4 Å²

Computed Properties

Molecular Weight:414.6
XLogP3:5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:414.14357042
Monoisotopic Mass:414.14357042
Topological Polar Surface Area:95.4
Heavy Atom Count:28
Complexity:616
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-benzylsulfanyl-12,12-dimethyl-4-(2-methylpropyl)-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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