339103-90-1
Product Name:
ETHYL N-(2-ACETYL-3-(4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINO)ACRYLOYL)CARBAMATE
Formula:
C18H20ClF3N4O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 448.8 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 6 |
| Exact Mass | 448.1125173 g/mol |
| Monoisotopic Mass | 448.1125173 g/mol |
| Topological Polar Surface Area | 91.8 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 681 |
| 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 |