318247-37-9
Product Name:
METHYL 7-(2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)ETHYL)-5,8-DIOXOHEXAHYDRO[1,3]THIAZOLO[3,4-A]PYRAZINE-3-CARBOXYLATE
Formula:
C16H16ClF3N4O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 452.8 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 6 |
| Exact Mass | 452.0532884 g/mol |
| Monoisotopic Mass | 452.0532884 g/mol |
| Topological Polar Surface Area | 117 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 671 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |