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867164-40-7 | N-[2-(4-Morpholinyl)ethyl]-N'-[4-[3-[6-(4-morpholinyl)-2-pyridinyl]-1-oxo-2-propen-1-yl]phenyl]urea
CAS No: 867164-40-7 Catalog No: AG01ENNS MDL No:
Product Description
Catalog Number:
AG01ENNS
Chemical Name:
N-[2-(4-Morpholinyl)ethyl]-N'-[4-[3-[6-(4-morpholinyl)-2-pyridinyl]-1-oxo-2-propen-1-yl]phenyl]urea
CAS Number:
867164-40-7
Molecular Formula:
C25H31N5O4
Molecular Weight:
465.5447
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
SMILES:
O/C(=N\CCN1CCOCC1)/Nc1ccc(cc1)C(=O)/C=C/c1cccc(n1)N1CCOCC1
Properties
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
Literature
| Title | Journal |
|---|---|
| Delayed intervention in experimental stroke with TRC051384--a small molecule HSP70 inducer. | Neuropharmacology 20110501 |
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