butyl 4-[14-methyl-13-(3-methylbutyl)-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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butyl 4-[14-methyl-13-(3-methylbutyl)-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
structure -
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CAS No:
844862-18-6
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Formula:
C29H31N5O3
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Chemical Name:
butyl 4-[14-methyl-13-(3-methylbutyl)-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:
ZINC2412192;STK990528;AKOS005645225;MCULE-2747932681;844862-18-6;butyl 4-[2-methyl-3-(3-methylbutyl)-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:
butyl 4-[14-methyl-13-(3-methylbutyl)-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
497.6 g/mol
497.24268987 g/mol
Computed Properties
Molecular Weight:497.6
XLogP3:5.4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:497.24268987
Monoisotopic Mass:497.24268987
Topological Polar Surface Area:89.7
Heavy Atom Count:37
Complexity:855
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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