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

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

4-benzyl-5-butylsulfanyl-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:
369607-30-7
Formula:
C22H26N2O2S2
Chemical Name:
4-benzyl-5-butylsulfanyl-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:
3-benzyl-2-(butylsulfanyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one;ZINC2318450;STK080757;AKOS005392471;MCULE-2828145650;369607-30-7

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4-benzyl-5-butylsulfanyl-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：

414.6 g/mol

Exact Mass：

414.14357042 g/mol

Characteristics

PSA：

95.4 Å²

Computed Properties

Molecular Weight:414.6
XLogP3:4.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:414.14357042
Monoisotopic Mass:414.14357042
Topological Polar Surface Area:95.4
Heavy Atom Count:28
Complexity:603
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-benzyl-5-butylsulfanyl-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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