755004-06-9
Product Name:
Ethyl 7-(2,4-dimethoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Formula:
C22H22N4O4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 406.4 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 406.16410520 g/mol |
| Monoisotopic Mass | 406.16410520 g/mol |
| Topological Polar Surface Area | 87.5 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 637 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |