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178979-55-0 | Ethanol, 2-[[4-[(3,5-dichlorophenyl)thio]-1-methyl-5-(1-methylethyl)-1H-imidazol-2-yl]methoxy]-, carbamate (ester) (9CI)
CAS No: 178979-55-0 Catalog No: AG0026KN MDL No:
Product Description
Catalog Number:
AG0026KN
Chemical Name:
Ethanol, 2-[[4-[(3,5-dichlorophenyl)thio]-1-methyl-5-(1-methylethyl)-1H-imidazol-2-yl]methoxy]-, carbamate (ester) (9CI)
CAS Number:
178979-55-0
Molecular Formula:
C17H21Cl2N3O3S
Molecular Weight:
418.3379
IUPAC Name:
2-[[4-(3,5-dichlorophenyl)sulfanyl-1-methyl-5-propan-2-ylimidazol-2-yl]methoxy]ethyl carbamate
InChI:
InChI=1S/C17H21Cl2N3O3S/c1-10(2)15-16(26-13-7-11(18)6-12(19)8-13)21-14(22(15)3)9-24-4-5-25-17(20)23/h6-8,10H,4-5,9H2,1-3H3,(H2,20,23)
InChI Key:
QDLIZJZOSFNLQJ-UHFFFAOYSA-N
SMILES:
NC(=O)OCCOCc1nc(c(n1C)C(C)C)Sc1cc(Cl)cc(c1)Cl
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.068g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
418.333g/mol
Monoisotopic Mass:
417.068g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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