 Home > Encyclopedia > 11-methyl-4-(4-methylphenyl)-5-(2-methylprop-2-enylsulfanyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

11-methyl-4-(4-methylphenyl)-5-(2-methylprop-2-enylsulfanyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

11-methyl-4-(4-methylphenyl)-5-(2-methylprop-2-enylsulfanyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one structure

CAS No:
372506-79-1
Formula:
C21H23N3OS2
Chemical Name:
11-methyl-4-(4-methylphenyl)-5-(2-methylprop-2-enylsulfanyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Synonyms:
Oprea1_225838;MLS001173676;CHEMBL1471491;HMS2857P19;STK524535;ZINC20842052;AKOS005458721;MCULE-5361731717;SMR000538737;372506-79-1;7-methyl-3-(4-methylphenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one

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11-methyl-4-(4-methylphenyl)-5-(2-methylprop-2-enylsulfanyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one Basic Attributes

Molecular Weight：

397.6 g/mol

Exact Mass：

397.12825471 g/mol

Characteristics

PSA：

89.4 Å²

Water Solubility：

25.6 [ug/mL]

Computed Properties

Molecular Weight:397.6
XLogP3:4.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:397.12825471
Monoisotopic Mass:397.12825471
Topological Polar Surface Area:89.4
Heavy Atom Count:27
Complexity:629
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 11-methyl-4-(4-methylphenyl)-5-(2-methylprop-2-enylsulfanyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

Basic Attributes
Characteristics
Computed Properties

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