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178979-70-9 | Ethanol, 2-[[[5-[(3,5-dichlorophenyl)thio]-1-methyl-4-(1-methylethyl)-1H-imidazol-2-yl]methyl]amino]-
CAS No: 178979-70-9 Catalog No: AG0026LO MDL No:
Product Description
Catalog Number:
AG0026LO
Chemical Name:
Ethanol, 2-[[[5-[(3,5-dichlorophenyl)thio]-1-methyl-4-(1-methylethyl)-1H-imidazol-2-yl]methyl]amino]-
CAS Number:
178979-70-9
Molecular Formula:
C16H21Cl2N3OS
Molecular Weight:
374.3284
IUPAC Name:
2-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methylamino]ethanol
InChI:
InChI=1S/C16H21Cl2N3OS/c1-10(2)15-16(21(3)14(20-15)9-19-4-5-22)23-13-7-11(17)6-12(18)8-13/h6-8,10,19,22H,4-5,9H2,1-3H3
InChI Key:
RDMVMEPZWMZXDX-UHFFFAOYSA-N
SMILES:
OCCNCc1nc(c(n1C)Sc1cc(Cl)cc(c1)Cl)C(C)C
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.078g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
374.324g/mol
Monoisotopic Mass:
373.078g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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