338979-15-0
Product Name:
5-((4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINO)METHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE
Formula:
C19H18ClF3N6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 454.9 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 454.0954280 g/mol |
| Monoisotopic Mass | 454.0954280 g/mol |
| Topological Polar Surface Area | 79.1 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 649 |
| 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 |