43093-01-2
Product Name:
6-(p-Nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide
Formula:
C18H12N2O4S
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COMPUTED DESCRIPTORS
Molecular Weight | 352.4 g/mol |
---|---|
XLogP3 | 3.2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 1 |
Exact Mass | 352.05177804 g/mol |
Monoisotopic Mass | 352.05177804 g/mol |
Topological Polar Surface Area | 93.3 Ų |
Heavy Atom Count | 25 |
Formal Charge | 0 |
Complexity | 656 |
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 |