774601-24-0
Product Name:
N-[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)prop-2-ynyl]-4-(4-nitrophenyl)sulfanylaniline chloride
Formula:
C27H26ClN3O5S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 540.0 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 539.1281698 g/mol |
| Monoisotopic Mass | 539.1281698 g/mol |
| Topological Polar Surface Area | 114 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 811 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |