63870-45-1
Product Name:
5,6-DIMETHYL-2-(2-(3-ETHYL-2-(3)-BENZOTHIAZOLYLIDENE)METHYL)-1-BUTENYL)-3-ETHYL-BENZOXAZOLIUM IODIDE
Formula:
C25H29IN2OS
Inquiry
COMPUTED DESCRIPTORS
Molecular Weight | 532.5 g/mol |
---|---|
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 5 |
Exact Mass | 532.10453 g/mol |
Monoisotopic Mass | 532.10453 g/mol |
Topological Polar Surface Area | 44.6 Ų |
Heavy Atom Count | 30 |
Formal Charge | 0 |
Complexity | 632 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 2 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 2 |
Compound Is Canonicalized | Yes |