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178980-28-4 | 1H-Imidazole-1-ethanol, 2-[[(aminocarbonyl)oxy]methyl]-5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-, carbamate (ester) (9CI)
CAS No: 178980-28-4 Catalog No: AG0026N3 MDL No:
Product Description
Catalog Number:
AG0026N3
Chemical Name:
1H-Imidazole-1-ethanol, 2-[[(aminocarbonyl)oxy]methyl]-5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-, carbamate (ester) (9CI)
CAS Number:
178980-28-4
IUPAC Name:
2-[2-(carbamoyloxymethyl)-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-1-yl]ethyl carbamate
InChI:
InChI=1S/C17H20Cl2N4O4S/c1-9(2)14-15(28-12-6-10(18)5-11(19)7-12)23(3-4-26-16(20)24)13(22-14)8-27-17(21)25/h5-7,9H,3-4,8H2,1-2H3,(H2,20,24)(H2,21,25)
InChI Key:
QQMPVOKGVMCXRC-UHFFFAOYSA-N
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.058g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
447.331g/mol
Monoisotopic Mass:
446.058g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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