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

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

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

CAS No:
306966-32-5
Formula:
C25H32N2O2S2
Chemical Name:
5-hexylsulfanyl-12,12-dimethyl-4-(2-phenylethyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Synonyms:
ZINC2286448;STK831212;AKOS001636942;MCULE-4929440070;SR-01000489559;SR-01000489559-1;2-(hexylsulfanyl)-6,6-dimethyl-3-(2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one;2-(hexylthio)-6,6-dimethyl-3-(2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one;306966-32-5

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5-hexylsulfanyl-12,12-dimethyl-4-(2-phenylethyl)-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：

456.7 g/mol

Exact Mass：

456.19052061 g/mol

Characteristics

PSA：

95.4 Å²

Computed Properties

Molecular Weight:456.7
XLogP3:6.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:456.19052061
Monoisotopic Mass:456.19052061
Topological Polar Surface Area:95.4
Heavy Atom Count:31
Complexity:647
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-hexylsulfanyl-12,12-dimethyl-4-(2-phenylethyl)-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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