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

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

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

CAS No:
487035-67-6
Formula:
C21H24N2OS3
Chemical Name:
12,12-dimethyl-4-(4-methylphenyl)-5-propan-2-ylsulfanyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Synonyms:
ZINC2322411;STL333265;AKOS022130982;MCULE-9931255600;487035-67-6;6,6-dimethyl-3-(4-methylphenyl)-2-(propan-2-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-(4-methylphenyl)-5-propan-2-ylsulfanyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one Basic Attributes

Molecular Weight：

416.6 g/mol

Exact Mass：

416.10507691 g/mol

Characteristics

PSA：

112 Å²

Computed Properties

Molecular Weight:416.6
XLogP3:5.7
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:416.10507691
Monoisotopic Mass:416.10507691
Topological Polar Surface Area:112
Heavy Atom Count:27
Complexity:613
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 12,12-dimethyl-4-(4-methylphenyl)-5-propan-2-ylsulfanyl-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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