104821-45-6
Product Name:
1-Piperazinepropanimidamide, 4-(2-chloro-10,11-dihydro-7-fluorodibenzo (b,f)thiepin-10-yl)-N-hydroxy-, (Z)-2-butenedioate, hydrate (2:4:1)
Formula:
2C21H24ClFN4OS.4C4H4O4.H2O
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 667.1 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 8 |
| Exact Mass | 666.1562556 g/mol |
| Monoisotopic Mass | 666.1562556 g/mol |
| Topological Polar Surface Area | 251 Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 706 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |