338795-04-3
Product Name:
2-(4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINO)-6-(1H-PYRROL-1-YL)-3,5-PYRIDINEDICARBONITRILE
Formula:
C21H15ClF3N7
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 457.8 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 3 |
| Exact Mass | 457.1029557 g/mol |
| Monoisotopic Mass | 457.1029557 g/mol |
| Topological Polar Surface Area | 84.8 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 748 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |