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

5-benzylsulfanyl-12,12-dimethyl-4-prop-2-enyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

5-benzylsulfanyl-12,12-dimethyl-4-prop-2-enyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one structure

CAS No:
489404-35-5
Formula:
C21H22N2OS3
Chemical Name:
5-benzylsulfanyl-12,12-dimethyl-4-prop-2-enyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Synonyms:
ZINC1788637;STK699838;AKOS005607067;MCULE-8878137068;2-(benzylsulfanyl)-6,6-dimethyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one;489404-35-5

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5-benzylsulfanyl-12,12-dimethyl-4-prop-2-enyl-8,11-dithia-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：

414.08942685 g/mol

Characteristics

PSA：

112 Å²

Computed Properties

Molecular Weight:414.6
XLogP3:5.1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:414.08942685
Monoisotopic Mass:414.08942685
Topological Polar Surface Area:112
Heavy Atom Count:27
Complexity:615
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-benzylsulfanyl-12,12-dimethyl-4-prop-2-enyl-8,11-dithia-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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