 Home > Encyclopedia > 4-(4-chlorophenyl)-11-methyl-5-sulfanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one

4-(4-chlorophenyl)-11-methyl-5-sulfanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one

4-(4-chlorophenyl)-11-methyl-5-sulfanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one structure

CAS No:
841209-00-5
Formula:
C16H14ClN3OS2
Chemical Name:
4-(4-chlorophenyl)-11-methyl-5-sulfanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Synonyms:
STK555505;ZINC20267521;AKOS005483414;MCULE-2200926064;3-(4-chlorophenyl)-7-methyl-2-sulfanyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one;841209-00-5

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4-(4-chlorophenyl)-11-methyl-5-sulfanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one Basic Attributes

Molecular Weight：

363.9 g/mol

Exact Mass：

363.0266821 g/mol

Characteristics

PSA：

95.9 Å²

XLogP3：

3.689

Melting Point：

256 - 258 °C (ethanol)

Computed Properties

Molecular Weight:363.9
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:363.0266821
Monoisotopic Mass:363.0266821
Topological Polar Surface Area:95.9
Heavy Atom Count:23
Complexity:512
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

189067-64-9

841209-00-5

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Guide of 4-(4-chlorophenyl)-11-methyl-5-sulfanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one

Basic Attributes
Characteristics
Computed Properties
Synthesis Route

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