245039-17-2
Product Name:
1-(1-[4-(2,4-DICHLOROPHENYL)-1,3-THIAZOL-2-YL]-5-HYDROXY-3-METHYL-1H-PYRAZOL-4-YL)-3-HYDROXY-2-BUTEN-1-ONE
Formula:
C17H13Cl2N3O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 410.3 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 409.0054678 g/mol |
| Monoisotopic Mass | 409.0054678 g/mol |
| Topological Polar Surface Area | 111 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 670 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |