 Home > Encyclopedia > 3-[(12,12-dimethyl-3-oxo-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]propanenitrile

3-[(12,12-dimethyl-3-oxo-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]propanenitrile

3-[(12,12-dimethyl-3-oxo-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]propanenitrile structure

CAS No:
369604-04-6
Formula:
C20H19N3O2S2
Chemical Name:
3-[(12,12-dimethyl-3-oxo-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]propanenitrile
Synonyms:
3-[(6,6-dimethyl-4-oxo-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanenitrile;ZINC2346865;STK058350;AKOS005387326;MCULE-7039540826;369604-04-6

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3-[(12,12-dimethyl-3-oxo-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]propanenitrile Basic Attributes

Molecular Weight：

397.5 g/mol

Exact Mass：

397.09186920 g/mol

Characteristics

PSA：

119 Å²

Computed Properties

Molecular Weight:397.5
XLogP3:3.4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:397.09186920
Monoisotopic Mass:397.09186920
Topological Polar Surface Area:119
Heavy Atom Count:27
Complexity:665
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[(12,12-dimethyl-3-oxo-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]propanenitrile

Basic Attributes
Characteristics
Computed Properties

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