69231-73-8
Product Name:
Piperazine, 1-(8-chloro-10,11-dihydro-3-methoxydibenzo(b,f)thiepin-10- yl)-, S-oxide, (Z)-2-butenedioate (1:1)
Formula:
C19H21ClN2O2S.C4H4O4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 493.0 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 492.1121854 g/mol |
| Monoisotopic Mass | 492.1121854 g/mol |
| Topological Polar Surface Area | 135 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 607 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |