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89446-84-4 | 1H-Imidazole, 4,5-dihydro-2-[(2-phenoxyethyl)thio]-4-phenyl-
CAS No: 89446-84-4 Catalog No: AG0043EG MDL No:
Product Description
Catalog Number:
AG0043EG
Chemical Name:
1H-Imidazole, 4,5-dihydro-2-[(2-phenoxyethyl)thio]-4-phenyl-
CAS Number:
89446-84-4
Molecular Formula:
C17H18N2OS
Molecular Weight:
298.4026
IUPAC Name:
2-(2-phenoxyethylsulfanyl)-5-phenyl-4,5-dihydro-1H-imidazole
InChI:
InChI=1S/C17H18N2OS/c1-3-7-14(8-4-1)16-13-18-17(19-16)21-12-11-20-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,18,19)
InChI Key:
GVFDZGDLTXNWGT-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)OCCSC1=NC(CN1)c1ccccc1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.114g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.404g/mol
Monoisotopic Mass:
298.114g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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