799840-27-0
Product Name:
(E)-N-[5,7-bis(4-chlorophenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(4-chlorophenyl)prop-2-enamide
Formula:
C26H18Cl3N5O
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COMPUTED DESCRIPTORS
| Molecular Weight | 522.8 g/mol |
|---|---|
| XLogP3 | 7.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 521.057693 g/mol |
| Monoisotopic Mass | 521.057693 g/mol |
| Topological Polar Surface Area | 71.8 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 786 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |