946387-04-8
Product Name:
3-(TERT-BUTYL)-4-(3-(4-NITROPHENYL)PROP-2-ENYLIDENE)-1-PHENYL-2-PYRAZOLIN-5-ONE
Formula:
C22H21N3O3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 375.4 g/mol |
|---|---|
| XLogP3 | 5.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 375.15829154 g/mol |
| Monoisotopic Mass | 375.15829154 g/mol |
| Topological Polar Surface Area | 78.5 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 683 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 2 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |