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131403-82-2

131403-82-2 structural image
Product Name: 5-(4-METHOXYPHENYL)PYRROLO[2,1-D][1,5]BENZOTHIAZEPIN-4-OL N,N-DIMETHYLCARBAMATE
Formula: C22H20N2O3S
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COMPUTED DESCRIPTORS

Molecular Weight 392.5 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 392.11946368 g/mol
Monoisotopic Mass 392.11946368 g/mol
Topological Polar Surface Area 69 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 601
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