methyl 3-[5-(2-chlorophenyl)-2-oxothieno[3,2-e][1,4]diazepin-7-yl]propanoate


Chemical Name: methyl 3-[5-(2-chlorophenyl)-2-oxothieno[3,2-e][1,4]diazepin-7-yl]propanoate
CAS Number: 100827-80-3
Product Number: AG0002ZB(AGN-PC-0JEKCY)
Synonyms:
MDL No:
Molecular Formula: C17H15ClN2O3S
Molecular Weight: 362.8306

Identification/Properties


Computed Properties
Molecular Weight:
362.828g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
362.049g/mol
Monoisotopic Mass:
362.049g/mol
Topological Polar Surface Area:
96A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
528
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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