ethyl 3-[13-[(2-chlorophenyl)methyl]-12-oxo-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-17-yl]benzoate
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ethyl 3-[13-[(2-chlorophenyl)methyl]-12-oxo-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-17-yl]benzoate
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CAS No:
839704-32-4
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Formula:
C28H20ClN5O3
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Chemical Name:
ethyl 3-[13-[(2-chlorophenyl)methyl]-12-oxo-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-17-yl]benzoate
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Synonyms:
ZINC2256007;STK714138;AKOS005531877;MCULE-1428926577;839704-32-4;ethyl 3-(3-(2-chlorobenzyl)-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate;ethyl 3-[3-(2-chlorobenzyl)-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl]benzoate
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CAS No:
ethyl 3-[13-[(2-chlorophenyl)methyl]-12-oxo-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-17-yl]benzoate Basic Attributes
509.9 g/mol
509.1254672 g/mol
Computed Properties
Molecular Weight:509.9
XLogP3:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:509.1254672
Monoisotopic Mass:509.1254672
Topological Polar Surface Area:89.7
Heavy Atom Count:37
Complexity:888
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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