 Home > Encyclopedia > 11-methyl-4-(4-methylphenyl)-5-prop-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-prop-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-prop-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:
372501-77-4
Formula:
C20H21N3OS2
Chemical Name:
11-methyl-4-(4-methylphenyl)-5-prop-2-enylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Synonyms:
Oprea1_289390;MLS001173664;CHEMBL1519892;HMS2866L08;STK526046;ZINC20841970;AKOS002838276;MCULE-5331952157;SMR000538736;372501-77-4;7-methyl-3-(4-methylphenyl)-2-(prop-2-en-1-ylsulfanyl)-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-prop-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：

383.5 g/mol

Exact Mass：

383.11260465 g/mol

Characteristics

PSA：

89.4 Å²

Water Solubility：

22.3 [ug/mL]

Computed Properties

Molecular Weight:383.5
XLogP3:4.3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:383.11260465
Monoisotopic Mass:383.11260465
Topological Polar Surface Area:89.4
Heavy Atom Count:26
Complexity:588
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 11-methyl-4-(4-methylphenyl)-5-prop-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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