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76834-40-7 | 4H-Imidazol-4-one,3,5-dihydro-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(phenylmethylene)-
CAS No: 76834-40-7 Catalog No: AG005HK3 MDL No:
Product Description
Catalog Number:
AG005HK3
Chemical Name:
4H-Imidazol-4-one,3,5-dihydro-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(phenylmethylene)-
CAS Number:
76834-40-7
Molecular Formula:
C14H12N4OS
Molecular Weight:
284.3363
IUPAC Name:
5-benzylidene-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one
InChI:
InChI=1S/C14H12N4OS/c1-9-15-12(8-11-6-4-3-5-7-11)13(19)18(9)14-17-16-10(2)20-14/h3-8H,1-2H3
InChI Key:
KAQPSBXFBUCYNO-UHFFFAOYSA-N
SMILES:
CC1=N/C(=C\c2ccccc2)/C(=O)N1c1nnc(s1)C
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.073g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.337g/mol
Monoisotopic Mass:
284.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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