49606-44-2
Product Name:
7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2,2,2-trifluoroethyl)-2H-1,4-benzodiazepin-2-one
Formula:
C17H11ClF4N2O
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 2270 2255 |
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COMPUTED DESCRIPTORS
Molecular Weight | 370.7 g/mol |
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XLogP3 | 3.4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 2 |
Exact Mass | 370.0496033 g/mol |
Monoisotopic Mass | 370.0496033 g/mol |
Topological Polar Surface Area | 32.7 Ų |
Heavy Atom Count | 25 |
Formal Charge | 0 |
Complexity | 539 |
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 |