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

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

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

CAS No:
351441-04-8
Formula:
C23H28N2O2S2
Chemical Name:
4-benzyl-12,12-dimethyl-5-pentylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Synonyms:
ZINC2361555;STK830017;AKOS001637522;MCULE-9991380136;SR-01000465265;SR-01000465265-1;3-benzyl-6,6-dimethyl-2-(pentylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one;3-benzyl-6,6-dimethyl-2-(pentylthio)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one;351441-04-8

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4-benzyl-12,12-dimethyl-5-pentylsulfanyl-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：

428.6 g/mol

Exact Mass：

428.15922049 g/mol

Characteristics

PSA：

95.4 Å²

Computed Properties

Molecular Weight:428.6
XLogP3:5.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:428.15922049
Monoisotopic Mass:428.15922049
Topological Polar Surface Area:95.4
Heavy Atom Count:29
Complexity:618
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-benzyl-12,12-dimethyl-5-pentylsulfanyl-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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