1022234-53-2
Product Name:
1-((4-(TERT-BUTYL)PHENYL)SULFONYL)-4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))-1,4-DIAZAPERHYDROEPINE
Formula:
C21H25ClF3N3O2S
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COMPUTED DESCRIPTORS
Molecular Weight | 476.0 g/mol |
---|---|
XLogP3 | 5.5 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 4 |
Exact Mass | 475.1308104 g/mol |
Monoisotopic Mass | 475.1308104 g/mol |
Topological Polar Surface Area | 61.9 Ų |
Heavy Atom Count | 31 |
Formal Charge | 0 |
Complexity | 700 |
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 |