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383147-22-6 | (2E)-1-[3-(3-methoxyphenyl)-2,1-benzoxazol-5-yl]-3-(4-methylphenyl)prop-2-en-1-one
CAS No: 383147-22-6 Catalog No: AG00IQLQ MDL No:MFCD03011771
Product Description
Catalog Number:
AG00IQLQ
Chemical Name:
(2E)-1-[3-(3-methoxyphenyl)-2,1-benzoxazol-5-yl]-3-(4-methylphenyl)prop-2-en-1-one
CAS Number:
383147-22-6
Molecular Formula:
C24H19NO3
Molecular Weight:
369.4126
MDL Number:
MFCD03011771
IUPAC Name:
1-[3-(3-methoxyphenyl)-2,1-benzoxazol-5-yl]-3-(4-methylphenyl)prop-2-en-1-one
InChI:
InChI=1S/C24H19NO3/c1-16-6-8-17(9-7-16)10-13-23(26)18-11-12-22-21(15-18)24(28-25-22)19-4-3-5-20(14-19)27-2/h3-15H,1-2H3
InChI Key:
MMXLWWZPYKFHQF-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1onc2c1cc(cc2)C(=O)/C=C/c1ccc(cc1)C
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.136g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.42g/mol
Monoisotopic Mass:
369.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.5
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