956754-00-0
Product Name:
4H-1,2,4-Triazole, 3-(cyclopentylthio)-4-methyl-5-[2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-4-thiazolyl]-
Formula:
C16H17F3N6S2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 414.5 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 414.09082140 g/mol |
| Monoisotopic Mass | 414.09082140 g/mol |
| Topological Polar Surface Area | 115 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 521 |
| 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 |