525582-29-0
Product Name:
3-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino}-5-(4-methylphenyl)cyclohex-2-en-1-one
Formula:
C27H24N2OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 424.6 g/mol |
|---|---|
| XLogP3 | 6.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 424.16093457 g/mol |
| Monoisotopic Mass | 424.16093457 g/mol |
| Topological Polar Surface Area | 70.2 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 662 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |