217317-46-9
Product Name:
2-[(MESITYLAMINO)CARBONYL]-7-NITRO-5-(TRIFLUOROMETHYL)-1,3-BENZOTHIAZOL-3-IUM-3-OLATE
Formula:
C18H14F3N3O4S
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COMPUTED DESCRIPTORS
Molecular Weight | 425.4 g/mol |
---|---|
XLogP3 | 5 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 2 |
Exact Mass | 425.06571160 g/mol |
Monoisotopic Mass | 425.06571160 g/mol |
Topological Polar Surface Area | 129 Ų |
Heavy Atom Count | 29 |
Formal Charge | 0 |
Complexity | 635 |
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 |