793727-84-1
Product Name:
3-[4-BUTYL-3-(4-CHLOROPHENYL)-5-THIOXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-1-YL]PROPANOIC ACID
Formula:
C15H18ClN3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 339.8 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 339.0808257 g/mol |
| Monoisotopic Mass | 339.0808257 g/mol |
| Topological Polar Surface Area | 88.2 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 450 |
| 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 |