7-(4-fluorophenyl)-1-methyl-7,8-dihydropyrazolo[3,4-d][1,3]thiazepin-4-one
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7-(4-fluorophenyl)-1-methyl-7,8-dihydropyrazolo[3,4-d][1,3]thiazepin-4-one
structure -
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CAS No:
27209-40-1
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Formula:
C13H12FN3OS
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Chemical Name:
7-(4-fluorophenyl)-1-methyl-7,8-dihydropyrazolo[3,4-d][1,3]thiazepin-4-one
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Synonyms:
MLS003107210;27209-40-1;NSC206666;CHEMBL2144842;DTXSID70418315;NSC-206666;SMR001822085
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CAS No:
7-(4-fluorophenyl)-1-methyl-7,8-dihydropyrazolo[3,4-d][1,3]thiazepin-4-one Basic Attributes
277.32 g/mol
277.06851135 g/mol
206666
DTXSID70418315
Computed Properties
Molecular Weight:277.32
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:277.06851135
Monoisotopic Mass:277.06851135
Topological Polar Surface Area:72.2
Heavy Atom Count:19
Complexity:349
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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