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477868-58-9 | 4-{5-[(1E)-[2-(2-phenoxyphenyl)hydrazin-1-ylidene]methyl]-1,3-thiazol-2-yl}morpholine
CAS No: 477868-58-9 Catalog No: AG00IR21 MDL No:MFCD01814590
Product Description
Catalog Number:
AG00IR21
Chemical Name:
4-{5-[(1E)-[2-(2-phenoxyphenyl)hydrazin-1-ylidene]methyl]-1,3-thiazol-2-yl}morpholine
CAS Number:
477868-58-9
Molecular Formula:
C20H20N4O2S
Molecular Weight:
380.4634
MDL Number:
MFCD01814590
IUPAC Name:
N-[(E)-(2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]-2-phenoxyaniline
InChI:
InChI=1S/C20H20N4O2S/c1-2-6-16(7-3-1)26-19-9-5-4-8-18(19)23-22-15-17-14-21-20(27-17)24-10-12-25-13-11-24/h1-9,14-15,23H,10-13H2/b22-15+
InChI Key:
XTIMUKJTFHEPMN-PXLXIMEGSA-N
SMILES:
O1CCN(CC1)c1ncc(s1)/C=N/Nc1ccccc1Oc1ccccc1
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
380.131g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.466g/mol
Monoisotopic Mass:
380.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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