921056-19-1
Product Name:
2-((2-(azepan-1-ylsulfonyl)ethyl)(pyridin-2-ylmethyl)carbamoyl)benzoic acid
Formula:
C22H27N3O5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 445.5 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 445.16714214 g/mol |
| Monoisotopic Mass | 445.16714214 g/mol |
| Topological Polar Surface Area | 116 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 700 |
| 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 |