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

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

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

CAS No:
483360-32-3
Formula:
C20H19N3O4S2
Chemical Name:
ethyl 4-[[2-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]benzoate
Synonyms:
ethyl 4-[2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophen -2-ylthio)acetylamino]benzoate;CBKinase1_002588;CBKinase1_014988;Oprea1_106646;Oprea1_106781;ZINC9169559;SBB083629;STK854166;STK999710;AKOS001056057;AKOS005630792;MCULE-5929411603;ST50032680;BRD-K55536581-001-01-7;483360-32-3;ethyl 4-({[(4-hydroxy-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate;ethyl 4-({[(4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate

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

Molecular Weight：

429.5 g/mol

Exact Mass：

429.08169844 g/mol

Characteristics

PSA：

150 Å²

Computed Properties

Molecular Weight:429.5
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:429.08169844
Monoisotopic Mass:429.08169844
Topological Polar Surface Area:150
Heavy Atom Count:29
Complexity:693
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties
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