929855-05-0
Product Name:
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-chloro-7H-purin-6-yl)sulfanyl]propanamide
Formula:
C16H14ClN5O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 391.8 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 391.0505882 g/mol |
| Monoisotopic Mass | 391.0505882 g/mol |
| Topological Polar Surface Area | 127 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 505 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |