860649-70-3
Product Name:
1-(4-(2-[(3-CHLOROBENZYL)SULFANYL][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL)PHENYL)-3,3-DIMETHYL-2-AZETANONE
Formula:
C23H20ClN5OS
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 450.0 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 449.1077091 g/mol |
| Monoisotopic Mass | 449.1077091 g/mol |
| Topological Polar Surface Area | 88.7 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 658 |
| 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 |