477869-95-7
Product Name:
Ethyl 2-(2-([3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-phenylpropanoate
Formula:
C22H17ClF3N5O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 507.9 g/mol |
|---|---|
| XLogP3 | 5.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 8 |
| Exact Mass | 507.0743582 g/mol |
| Monoisotopic Mass | 507.0743582 g/mol |
| Topological Polar Surface Area | 108 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 687 |
| 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 |