4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-2-propanoic Acid


Chemical Name: 4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-2-propanoic Acid
CAS Number: 100826-98-0
Product Number: AG0002Y8(AGN-PC-00NFEW)
Synonyms:
MDL No:
Molecular Formula: C18H15ClN4O2S
Molecular Weight: 386.8553

Identification/Properties


Computed Properties
Molecular Weight:
386.854g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
386.06g/mol
Monoisotopic Mass:
386.06g/mol
Topological Polar Surface Area:
109A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
577
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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