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325834-00-2 | 2-[(4-hydroxy-3-methoxyphenyl)methylidene]-2H,3H,5H,6H,7H,8H,9H-imidazo[1,2-a]azepin-3-one
CAS No: 325834-00-2 Catalog No: AG019HC4 MDL No:MFCD03459885
Product Description
Catalog Number:
AG019HC4
Chemical Name:
2-[(4-hydroxy-3-methoxyphenyl)methylidene]-2H,3H,5H,6H,7H,8H,9H-imidazo[1,2-a]azepin-3-one
CAS Number:
325834-00-2
Molecular Formula:
C16H18N2O3
Molecular Weight:
286.3257
MDL Number:
MFCD03459885
IUPAC Name:
2-[(4-hydroxy-3-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one
InChI:
InChI=1S/C16H18N2O3/c1-21-14-10-11(6-7-13(14)19)9-12-16(20)18-8-4-2-3-5-15(18)17-12/h6-7,9-10,19H,2-5,8H2,1H3
InChI Key:
UVFSUSSIXDOCCM-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1O)C=C1N=C2N(C1=O)CCCCC2
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.132g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.331g/mol
Monoisotopic Mass:
286.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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