13350-41-9
Product Name:
1-CARBOXYMETHYL-3-PHENYL-5-(2-(3-ETHYL-2-BENZOXAZOLINYLIDENE)-ETHYLIDENE)-THIOHYDANTOIN
Formula:
C22H19N3O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 421.5 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 421.10962727 g/mol |
| Monoisotopic Mass | 421.10962727 g/mol |
| Topological Polar Surface Area | 105 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 774 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 2 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |