| CAS Number | 314245-15-3 |
| Catalog Number | AG01BEHN |
| Chemical Name | 3-oxo-3-phenyl-N-(pyridin-3-yl)-2-[2-(pyridin-3-yl)hydrazin-1-ylidene]propanamide |
| IUPAC Name | 3-hydroxy-3-phenyl-N-pyridin-3-yl-2-(pyridin-3-yldiazenyl)prop-2-enamide |
| InChI | InChI=1S/C19H15N5O2/c25-18(14-6-2-1-3-7-14)17(24-23-16-9-5-11-21-13-16)19(26)22-15-8-4-10-20-12-15/h1-13,25H,(H,22,26) |
| InChI Key | STNYRVYWBLPDKL-UHFFFAOYSA-N |
| MDL Number | MFCD02700858 |
| Molecular Formula | C19H15N5O2 |
| Molecular Weight | 345.3547 |
| SMILES | O=C(C(C(C1=CC=CC=C1)=O)=NNC1=CN=CC=C1)NC1=CN=CC=C1 |
| Synonyms | 3-oxo-3-phenyl-N-(pyridin-3-yl)-2-[2-(pyridin-3-yl)hydrazin-1-ylidene]propanamide,
314245-15-3,
HMS3377B16,
ZINC3175448,
ZINC12512621,
ZINC242575017,
|
| Complexity | 528 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 345.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 345.362g/mol |
| Monoisotopic Mass | 345.123g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 99.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number