859110-82-0
Product Name:
1-[2-[6-[(E)-hydroxyiminomethyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-1-methyl-3-(2-phenylethyl)thiourea
Formula:
C21H25N3O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 415.5 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 415.15657746 g/mol |
| Monoisotopic Mass | 415.15657746 g/mol |
| Topological Polar Surface Area | 108 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 544 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |