| CAS Number | 867164-40-7 |
| Catalog Number | AG01ENNS(AGN-PC-0V88HH) |
| Chemical Name | N-[2-(4-Morpholinyl)ethyl]-N'-[4-[3-[6-(4-morpholinyl)-2-pyridinyl]-1-oxo-2-propen-1-yl]phenyl]urea |
| IUPAC Name | 1-(2-morpholin-4-ylethyl)-3-[4-[(E)-3-(6-morpholin-4-ylpyridin-2-yl)prop-2-enoyl]phenyl]urea |
| InChI | InChI=1S/C25H31N5O4/c31-23(9-8-21-2-1-3-24(27-21)30-14-18-34-19-15-30)20-4-6-22(7-5-20)28-25(32)26-10-11-29-12-16-33-17-13-29/h1-9H,10-19H2,(H2,26,28,32)/b9-8+ |
| InChI Key | SQTSPANZQDCPLB-CMDGGOBGSA-N |
| MDL Number | MFCD28133369 |
| Molecular Formula | C25H31N5O4 |
| Molecular Weight | 465.5447 |
| SMILES | O1CCN(CC1)CCNC(=O)NC1=CC=C(C=C1)C(C=CC1=NC(=CC=C1)N1CCOCC1)=O |
| Synonyms | 1-(2-(morpholin-4-yl)ethyl)-3-(4-(-3-(6-(morpholin-4-yl)pyridin- 2-yl)prop-2-enoyl)phenyl)urea dihydrochloride,
TRC051384,
TRC051384,
867164-40-7,
TRC 051384,
N-[2-(4-Morpholinyl)ethyl]-N'-[4-[3-[6-(4-morpholinyl)-2-pyridinyl]-1-oxo-2-propen-1-yl]phenyl]urea,
SCHEMBL1385645,
BCP29281,
s8305,
ZINC35974229,
AKOS024458315,
CS-6513,
HY-101712,
CID11634093,
A16053,
1-(2-morpholin-4-ylethyl)-3-[4-[(E)-3-(6-morpholin-4-ylpyridin-2-yl)prop-2-enoyl]phenyl]urea,
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| Complexity | 670 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 465.238g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 465.554g/mol |
| Monoisotopic Mass | 465.238g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 96A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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