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75745-82-3 | 1H-Imidazole,4,5-dihydro-2-[5-[(4-methoxyphenyl)sulfonyl]-2-furanyl]-
CAS No: 75745-82-3 Catalog No: AG005IQK MDL No:
Product Description
Catalog Number:
AG005IQK
Chemical Name:
1H-Imidazole,4,5-dihydro-2-[5-[(4-methoxyphenyl)sulfonyl]-2-furanyl]-
CAS Number:
75745-82-3
Molecular Formula:
C14H14N2O4S
Molecular Weight:
306.3370
IUPAC Name:
2-[5-(4-methoxyphenyl)sulfonylfuran-2-yl]-4,5-dihydro-1H-imidazole
InChI:
InChI=1S/C14H14N2O4S/c1-19-10-2-4-11(5-3-10)21(17,18)13-7-6-12(20-13)14-15-8-9-16-14/h2-7H,8-9H2,1H3,(H,15,16)
InChI Key:
KVJOBUNTFPHCGK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)c1ccc(o1)C1=NCCN1
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.067g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.336g/mol
Monoisotopic Mass:
306.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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