 Home > Encyclopedia > 7-(4-chlorophenyl)-3-sulfanylidene-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),5,10(15)-trien-8-one

7-(4-chlorophenyl)-3-sulfanylidene-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),5,10(15)-trien-8-one

7-(4-chlorophenyl)-3-sulfanylidene-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),5,10(15)-trien-8-one structure

CAS No:
843624-33-9
Formula:
C17H13ClN4OS2
Chemical Name:
7-(4-chlorophenyl)-3-sulfanylidene-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),5,10(15)-trien-8-one
Synonyms:
CHEMBL576464;ZINC6192076;STK555817;AKOS005482137;MCULE-5198481908;4-(4-chlorophenyl)-1-sulfanyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one;843624-33-9

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7-(4-chlorophenyl)-3-sulfanylidene-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),5,10(15)-trien-8-one Basic Attributes

Molecular Weight：

388.9 g/mol

Exact Mass：

388.0219311 g/mol

Characteristics

PSA：

108 Å²

XLogP3：

3.9158

Melting Point：

260 - 263 °C (ethanol)

Computed Properties

Molecular Weight:388.9
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:388.0219311
Monoisotopic Mass:388.0219311
Topological Polar Surface Area:108
Heavy Atom Count:25
Complexity:636
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-(4-chlorophenyl)-3-sulfanylidene-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),5,10(15)-trien-8-one

Basic Attributes
Characteristics
Computed Properties

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