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Home > Imidazoles > 1223880-14-5
1223880-14-5 | N-(furan-2-ylmethyl)-3-(2-sulfanylidene-2,3-dihydro-1H-imidazol-1-yl)benzamide
CAS No: 1223880-14-5 Catalog No: AG00HGPR MDL No:MFCD14703423
Product Description
Catalog Number:
AG00HGPR
Chemical Name:
N-(furan-2-ylmethyl)-3-(2-sulfanylidene-2,3-dihydro-1H-imidazol-1-yl)benzamide
CAS Number:
1223880-14-5
Molecular Formula:
C15H13N3O2S
Molecular Weight:
299.3476
MDL Number:
MFCD14703423
IUPAC Name:
N-(furan-2-ylmethyl)-3-(2-sulfanylidene-1H-imidazol-3-yl)benzamide
InChI:
InChI=1S/C15H13N3O2S/c19-14(17-10-13-5-2-8-20-13)11-3-1-4-12(9-11)18-7-6-16-15(18)21/h1-9H,10H2,(H,16,21)(H,17,19)
InChI Key:
JXPLXKROCFSZTG-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)n1cc[nH]c1=S)NCc1ccco1
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.073g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.348g/mol
Monoisotopic Mass:
299.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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