351162-65-7
Product Name:
(4E)-2-(1,3-BENZOTHIAZOL-2-YL)-4-[1-(BENZYLAMINO)ETHYLIDENE]-5-PROPYL-2,4-DIHYDRO-3H-PYRAZOL-3-ONE
Formula:
C22H22N4OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 390.5 g/mol |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 390.15143251 g/mol |
| Monoisotopic Mass | 390.15143251 g/mol |
| Topological Polar Surface Area | 85.8 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 640 |
| 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 |