235782-02-2
Product Name:
2-([7-(DIMETHYLAMINO)-4,4A,5,6-TETRAHYDRO-2(3H)-NAPHTHALENYLIDENE]METHYL)-3-ETHYL-1,3-BENZOTHIAZOL-3-IUM PERCHLORATE
Formula:
C22H27ClN2O4S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 451.0 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 450.1380062 g/mol |
| Monoisotopic Mass | 450.1380062 g/mol |
| Topological Polar Surface Area | 110 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 685 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |