77563-16-7
Product Name:
Propanamide, N-(2-butoxy-6-benzothiazolyl)-N-(1-methyl-2-(4-(2-phenyle thyl)-1-piperazinyl)ethyl)-, ethanedioate (1:2)
Formula:
C29H40N4O2S.2C2H2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 688.8 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 14 |
| Exact Mass | 688.27781479 g/mol |
| Monoisotopic Mass | 688.27781479 g/mol |
| Topological Polar Surface Area | 226 Ų |
| Heavy Atom Count | 48 |
| Formal Charge | 0 |
| Complexity | 725 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |