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Home > Imidazoles > 1221343-10-7
1221343-10-7 | {1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methanesulfonyl-1H-imidazol-5-yl}methanol
CAS No: 1221343-10-7 Catalog No: AG00JTW0 MDL No:MFCD14707585
Product Description
Catalog Number:
AG00JTW0
Chemical Name:
{1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methanesulfonyl-1H-imidazol-5-yl}methanol
CAS Number:
1221343-10-7
Molecular Formula:
C15H20N2O5S
Molecular Weight:
340.3947
MDL Number:
MFCD14707585
IUPAC Name:
[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfonylimidazol-4-yl]methanol
InChI:
InChI=1S/C15H20N2O5S/c1-21-13-5-4-11(8-14(13)22-2)6-7-17-12(10-18)9-16-15(17)23(3,19)20/h4-5,8-9,18H,6-7,10H2,1-3H3
InChI Key:
YACXAUAKQSPSFL-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)CCn1c(CO)cnc1S(=O)(=O)C
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.109g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.394g/mol
Monoisotopic Mass:
340.109g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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