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

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

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

CAS No:
496029-18-6
Formula:
C27H25N3O4S2
Chemical Name:
ethyl 4-[[[2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]methyl]benzoate
Synonyms:
ethyl 4-{[2-(4-oxo-3-phenyl-3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[4,5- b]thiophen-2-ylthio)acetylamino]methyl}benzoate;ZINC1471210;SBB083494;STK606506;AKOS002171837;MCULE-9681225632;ST50055554;496029-18-6;ethyl 4-[({[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)methyl]benzoate

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

Molecular Weight：

519.6 g/mol

Exact Mass：

519.12864863 g/mol

Characteristics

PSA：

142 Å²

Computed Properties

Molecular Weight:519.6
XLogP3:5.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:519.12864863
Monoisotopic Mass:519.12864863
Topological Polar Surface Area:142
Heavy Atom Count:36
Complexity:854
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties
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