82802-88-8
Product Name:
3-Chloro-12,13-dimethoxy-5,9,10,14b-tetrahydroisoquino(2,1-d)(1,4)benz odiazepin-6(7H)-one
Formula:
C19H19ClN2O3
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COMPUTED DESCRIPTORS
Molecular Weight | 358.8 g/mol |
---|---|
XLogP3 | 3 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 2 |
Exact Mass | 358.1084202 g/mol |
Monoisotopic Mass | 358.1084202 g/mol |
Topological Polar Surface Area | 50.8 Ų |
Heavy Atom Count | 25 |
Formal Charge | 0 |
Complexity | 505 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |