99749-49-2
Product Name:
4-OXO-5-(3-(3-SULFOBUTYL)-2-(3H)-BENZOTHIAZOLIDENE)-2-THIOXO-3-THIAZOLIDINE ACETIC ACID TRIETHYLAMINE SALT
Formula:
C28H46N4O6S4
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COMPUTED DESCRIPTORS
| Molecular Weight | 663.0 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 12 |
| Exact Mass | 662.23001989 g/mol |
| Monoisotopic Mass | 662.23001989 g/mol |
| Topological Polar Surface Area | 213 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 847 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |