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Home > Fluorides > 178979-48-1
178979-48-1 | 1H-Imidazole-2-methanol, 5-[(3,5-difluorophenyl)thio]-1-ethyl-4-(1-methylethyl)-, carbamate (ester) (9CI)
CAS No: 178979-48-1 Catalog No: AG0026KU MDL No:
Product Description
Catalog Number:
AG0026KU
Chemical Name:
1H-Imidazole-2-methanol, 5-[(3,5-difluorophenyl)thio]-1-ethyl-4-(1-methylethyl)-, carbamate (ester) (9CI)
CAS Number:
178979-48-1
Molecular Formula:
C16H19F2N3O2S
Molecular Weight:
355.4028
IUPAC Name:
[5-(3,5-difluorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl carbamate
InChI:
InChI=1S/C16H19F2N3O2S/c1-4-21-13(8-23-16(19)22)20-14(9(2)3)15(21)24-12-6-10(17)5-11(18)7-12/h5-7,9H,4,8H2,1-3H3,(H2,19,22)
InChI Key:
ZJKKOGLHQPEORV-UHFFFAOYSA-N
SMILES:
CCn1c(COC(=O)N)nc(c1Sc1cc(F)cc(c1)F)C(C)C
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.117g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.404g/mol
Monoisotopic Mass:
355.117g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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