129658-31-7
Product Name:
Benzeneethanamine, 2,5-dimethoxy-4-(heptylthio)-N-methyl-, (Z)-2-buten edioate (1:1)
Formula:
C18H31NO2S.C4H4O4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 441.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 14 |
| Exact Mass | 441.21850901 g/mol |
| Monoisotopic Mass | 441.21850901 g/mol |
| Topological Polar Surface Area | 130 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 384 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |