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

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

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

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

structure
  • CAS No:

    497082-11-8

  • Formula:

    C20H20N4O3S2

  • Chemical Name:

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

  • Synonyms:

    CBKinase1_004405;CBKinase1_016805;ZINC2249901;STK854892;AKOS002170302;MCULE-9707191979;SR-01000268495;SR-01000268495-1;BRD-K73573697-001-01-9;497082-11-8;ethyl 4-({[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate

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

428.5 g/mol

428.09768286 g/mol

Characteristics

161 Ų

Computed Properties

Molecular Weight:428.5
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:428.09768286
Monoisotopic Mass:428.09768286
Topological Polar Surface Area:161
Heavy Atom Count:29
Complexity:602
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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