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Home > Imidazoles > 178979-37-8
178979-37-8 | 1H-Imidazole-2-methanol, 4-(1-methylethyl)-5-[(3-nitrophenyl)thio]-1-(phenylmethyl)-, carbamate (ester) (9CI)
CAS No: 178979-37-8 Catalog No: AG0026JP MDL No:
Product Description
Catalog Number:
AG0026JP
Chemical Name:
1H-Imidazole-2-methanol, 4-(1-methylethyl)-5-[(3-nitrophenyl)thio]-1-(phenylmethyl)-, carbamate (ester) (9CI)
CAS Number:
178979-37-8
IUPAC Name:
[1-benzyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]methyl carbamate
InChI:
InChI=1S/C21H22N4O4S/c1-14(2)19-20(30-17-10-6-9-16(11-17)25(27)28)24(12-15-7-4-3-5-8-15)18(23-19)13-29-21(22)26/h3-11,14H,12-13H2,1-2H3,(H2,22,26)
InChI Key:
ZZNIXWBTYQDWND-UHFFFAOYSA-N
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.136g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
426.491g/mol
Monoisotopic Mass:
426.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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