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178979-07-2 | 1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)thio]-1-dodecyl-4-(1-methylethyl)-
CAS No: 178979-07-2 Catalog No: AG0026J0 MDL No:
Product Description
Catalog Number:
AG0026J0
Chemical Name:
1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)thio]-1-dodecyl-4-(1-methylethyl)-
CAS Number:
178979-07-2
Molecular Formula:
C25H38Cl2N2OS
Molecular Weight:
485.5530
IUPAC Name:
[5-(3,5-dichlorophenyl)sulfanyl-1-dodecyl-4-propan-2-ylimidazol-2-yl]methanol
InChI:
InChI=1S/C25H38Cl2N2OS/c1-4-5-6-7-8-9-10-11-12-13-14-29-23(18-30)28-24(19(2)3)25(29)31-22-16-20(26)15-21(27)17-22/h15-17,19,30H,4-14,18H2,1-3H3
InChI Key:
MQSIMNNILZXHAW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCn1c(CO)nc(c1Sc1cc(Cl)cc(c1)Cl)C(C)C
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
484.208g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
485.552g/mol
Monoisotopic Mass:
484.208g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.5
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