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1146290-00-7 | N-benzyl-3-(2-sulfanylidene-2,3-dihydro-1H-imidazol-1-yl)benzamide
CAS No: 1146290-00-7 Catalog No: AG00J0RV MDL No:MFCD14703422
Product Description
Catalog Number:
AG00J0RV
Chemical Name:
N-benzyl-3-(2-sulfanylidene-2,3-dihydro-1H-imidazol-1-yl)benzamide
CAS Number:
1146290-00-7
Molecular Formula:
C17H15N3OS
Molecular Weight:
309.3855
MDL Number:
MFCD14703422
IUPAC Name:
N-benzyl-3-(2-sulfanylidene-1H-imidazol-3-yl)benzamide
InChI:
InChI=1S/C17H15N3OS/c21-16(19-12-13-5-2-1-3-6-13)14-7-4-8-15(11-14)20-10-9-18-17(20)22/h1-11H,12H2,(H,18,22)(H,19,21)
InChI Key:
ZSRVMUIXFOJUDM-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)n1cc[nH]c1=S)NCc1ccccc1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.094g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.387g/mol
Monoisotopic Mass:
309.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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