 Home > Encyclopedia > ethyl 4-[4-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]butanoylamino]benzoate

ethyl 4-[4-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]butanoylamino]benzoate

ethyl 4-[4-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]butanoylamino]benzoate structure

CAS No:
496028-90-1
Formula:
C28H27N3O4S2
Chemical Name:
ethyl 4-[4-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]butanoylamino]benzoate
Synonyms:
ZINC1830002;SBB083498;STK550940;AKOS002169888;MCULE-8777651836;496028-90-1;ethyl 4-({4-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanoyl}amino)benzoate;ethyl 4-[4-(4-oxo-3-phenyl-3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[4,5-b ]thiophen-2-ylthio)butanoylamino]benzoate

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ethyl 4-[4-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]butanoylamino]benzoate Basic Attributes

Molecular Weight：

533.7 g/mol

Exact Mass：

533.14429870 g/mol

Characteristics

PSA：

142 Å²

Computed Properties

Molecular Weight:533.7
XLogP3:5.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:533.14429870
Monoisotopic Mass:533.14429870
Topological Polar Surface Area:142
Heavy Atom Count:37
Complexity:870
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 4-[4-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]butanoylamino]benzoate

Basic Attributes
Characteristics
Computed Properties
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