120512-03-0
Product Name:
Anastrozole IMpurity (3-(1-Cyano-1-Methylethyl)-alfa,alfa-diMethyl-5-(1H-,1,2,4-triazole-1-ylMethyl)-benzeneacetaMide)
Formula:
C17H21N5O
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 311.4 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 311.17461031 g/mol |
| Monoisotopic Mass | 311.17461031 g/mol |
| Topological Polar Surface Area | 97.6 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 493 |
| 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 |