| CAS Number | 1395048-49-3 |
| Catalog Number | AG009CIY |
| Chemical Name | 2-[[3-(4-Morpholinyl)propyl]amino]-4-pyridinecarboxylic acid 2-[1-(4-chloro-2-hydroxyphenyl)propylidene]hydrazide |
| IUPAC Name | N-[(E)-1-(4-chloro-2-hydroxyphenyl)propylideneamino]-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxamide |
| InChI | InChI=1S/C22H28ClN5O3/c1-2-19(18-5-4-17(23)15-20(18)29)26-27-22(30)16-6-8-25-21(14-16)24-7-3-9-28-10-12-31-13-11-28/h4-6,8,14-15,29H,2-3,7,9-13H2,1H3,(H,24,25)(H,27,30)/b26-19+ |
| InChI Key | FXXCNYVQIONABS-LGUFXXKBSA-N |
| MDL Number | MFCD28963911 |
| Molecular Formula | C22H28ClN5O3 |
| Molecular Weight | 445.9424 |
| SMILES | C1C(C(N/N=C(/C2C(O)=CC(Cl)=CC=2)CC)=O)=CC(NCCCN2CCOCC2)=NC=1 |
| Synonyms | M-110,
1395048-49-3,
2-[[3-(4-Morpholinyl)propyl]amino]-4-pyridinecarboxylic acid 2-[1-(4-chloro-2-hydroxyphenyl)propylidene]hydrazide,
C22H28ClN5O3,
SCHEMBL16397852,
3800AH,
AKOS030260388,
HY-12830,
CS-4214,
|
| Complexity | 588 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 445.188g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 445.948g/mol |
| Monoisotopic Mass | 445.188g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 99.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number