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178980-35-3 | 1H-Imidazole-2-ethanol, 1-[(3-aminophenyl)methyl]-5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-
CAS No: 178980-35-3 Catalog No: AG0026MW MDL No:
Product Description
Catalog Number:
AG0026MW
Chemical Name:
1H-Imidazole-2-ethanol, 1-[(3-aminophenyl)methyl]-5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-
CAS Number:
178980-35-3
Molecular Formula:
C21H23Cl2N3OS
Molecular Weight:
436.3978
IUPAC Name:
2-[1-[(3-aminophenyl)methyl]-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]ethanol
InChI:
InChI=1S/C21H23Cl2N3OS/c1-13(2)20-21(28-18-10-15(22)9-16(23)11-18)26(19(25-20)6-7-27)12-14-4-3-5-17(24)8-14/h3-5,8-11,13,27H,6-7,12,24H2,1-2H3
InChI Key:
LUCCKDDLQLVLDM-UHFFFAOYSA-N
SMILES:
OCCc1nc(c(n1Cc1cccc(c1)N)Sc1cc(Cl)cc(c1)Cl)C(C)C
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.094g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
436.395g/mol
Monoisotopic Mass:
435.094g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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