371116-42-6
Product Name:
4-[(E)-3-[3-(1H-benzimidazol-1-ium-2-ylsulfanylmethyl)-4-methoxyphenyl]prop-2-enoyl]phenolate
Formula:
C24H20N2O3S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 416.5 g/mol |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 416.11946368 g/mol |
| Monoisotopic Mass | 416.11946368 g/mol |
| Topological Polar Surface Area | 101 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 593 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |