9-ethyl-5-isocyanato-9,14,20-triazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3(8),4,6,11,15,17-octaen-19-one
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9-ethyl-5-isocyanato-9,14,20-triazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3(8),4,6,11,15,17-octaen-19-one
structure -
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CAS No:
82983-06-0
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Formula:
C20H14N4O2
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Chemical Name:
9-ethyl-5-isocyanato-9,14,20-triazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3(8),4,6,11,15,17-octaen-19-one
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Synonyms:
NSC340558;82983-06-0;RFZMWCMMOYDRMW-UHFFFAOYSA-;DTXSID20319161;ZINC1579286;NSC-340558
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CAS No:
9-ethyl-5-isocyanato-9,14,20-triazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3(8),4,6,11,15,17-octaen-19-one Basic Attributes
342.3 g/mol
342.11167570 g/mol
340558
DTXSID20319161
Computed Properties
Molecular Weight:342.3
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:342.11167570
Monoisotopic Mass:342.11167570
Topological Polar Surface Area:68.4
Heavy Atom Count:26
Complexity:633
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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