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

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

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

CAS No:
500105-72-6
Formula:
C21H22N2OS3
Chemical Name:
12,12-dimethyl-4-(3-methylphenyl)-5-prop-2-enylsulfanyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Synonyms:
ZINC2357886;STK543471;AKOS005472691;MCULE-5023285660;500105-72-6;6,6-dimethyl-3-(3-methylphenyl)-2-(prop-2-en-1-ylsulfanyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

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12,12-dimethyl-4-(3-methylphenyl)-5-prop-2-enylsulfanyl-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
XLogP3:5.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:414.08942685
Monoisotopic Mass:414.08942685
Topological Polar Surface Area:112
Heavy Atom Count:27
Complexity:635
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: lithium carbonate formula; lead sulfate; methyl ethyl ketoxime; phosphate aluminum; aluminum phosphate formula; chlorphenamine maleate

Guide of 12,12-dimethyl-4-(3-methylphenyl)-5-prop-2-enylsulfanyl-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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