diazipine
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diazipine
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CAS No:
135330-18-6
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Formula:
C29H26F6N4O5
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Chemical Name:
diazipine
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Synonyms:
diazipine;3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-, 3-ethyl5-[2-[[4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoyl]amino]ethyl] ester;ACMC-20d7el;CTK4B9766;DTXSID50928967;3-O-ethyl 5-O-[2-[[4-[3-(trifluoromethyl)diazirin-3-yl]benzoyl]amino]ethyl] 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate;Ethyl 2-{4-[3-(trifluoromethyl)-3H-diaziren-3-yl]benzamido}ethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
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CAS No:
Computed Properties
Molecular Weight:624.5
XLogP3:5.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:11
Exact Mass:624.18073892
Monoisotopic Mass:624.18073892
Topological Polar Surface Area:118
Heavy Atom Count:44
Complexity:1210
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes