129658-13-5
Product Name:
Benzeneethanamine, 2,5-dimethoxy-N-methyl-4-(pentylthio)-, (Z)-2-buten edioate (1:1)
Formula:
C16H27NO2S.C4H4O4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 413.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 12 |
| Exact Mass | 413.18720888 g/mol |
| Monoisotopic Mass | 413.18720888 g/mol |
| Topological Polar Surface Area | 130 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 360 |
| 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 |