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328281-63-6 | 2-{[(4-nitrophenyl)methyl]sulfanyl}-4,5-diphenyl-1H-imidazole
CAS No: 328281-63-6 Catalog No: AG00IY6W MDL No:MFCD00351468
Product Description
Catalog Number:
AG00IY6W
Chemical Name:
2-{[(4-nitrophenyl)methyl]sulfanyl}-4,5-diphenyl-1H-imidazole
CAS Number:
328281-63-6
Molecular Formula:
C22H17N3O2S
Molecular Weight:
387.4543
MDL Number:
MFCD00351468
IUPAC Name:
2-[(4-nitrophenyl)methylsulfanyl]-4,5-diphenyl-1H-imidazole
InChI:
InChI=1S/C22H17N3O2S/c26-25(27)19-13-11-16(12-14-19)15-28-22-23-20(17-7-3-1-4-8-17)21(24-22)18-9-5-2-6-10-18/h1-14H,15H2,(H,23,24)
InChI Key:
PPKLABMGXBLYFN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)CSc1nc(c([nH]1)c1ccccc1)c1ccccc1
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.104g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
387.457g/mol
Monoisotopic Mass:
387.104g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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