 Home > Encyclopedia > ethyl 4-[4-[(12-oxo-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-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-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:
496028-91-2
Formula:
C22H23N3O4S2
Chemical Name:
ethyl 4-[4-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]butanoylamino]benzoate
Synonyms:
496028-91-2;ethyl 4-({4-[(4-hydroxy-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanoyl}amino)benzoate;SBB083616;STL000421;STL037235;ZINC16944358;AKOS001057681;AKOS005691414;MCULE-3475154605;F1266-0011;ethyl 4-({4-[(4-oxo-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-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)butanamido)benzoate;ethyl 4-[4-(4-oxo-3,5,6,7-tetrahydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophen -2-ylthio)butanoylamino]benzoate;ethyl 4-[4-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]butanoylamino]benzoate

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ethyl 4-[4-[(12-oxo-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：

457.6 g/mol

Exact Mass：

457.11299857 g/mol

Characteristics

PSA：

150 Å²

Computed Properties

Molecular Weight:457.6
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:457.11299857
Monoisotopic Mass:457.11299857
Topological Polar Surface Area:150
Heavy Atom Count:31
Complexity:724
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 4-[4-[(12-oxo-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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