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143658-85-9 | 4H-Imidazol-4-one,3,5-dihydro-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[(2-phenyl-1H-indol-3-yl)methylene]-
CAS No: 143658-85-9 Catalog No: AG007JP3 MDL No:
Product Description
Catalog Number:
AG007JP3
Chemical Name:
4H-Imidazol-4-one,3,5-dihydro-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[(2-phenyl-1H-indol-3-yl)methylene]-
CAS Number:
143658-85-9
Molecular Formula:
C22H17N5OS
Molecular Weight:
399.4683
IUPAC Name:
2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[(2-phenylindol-3-ylidene)methyl]imidazol-4-ol
InChI:
InChI=1S/C22H17N5OS/c1-13-23-19(21(28)27(13)22-26-25-14(2)29-22)12-17-16-10-6-7-11-18(16)24-20(17)15-8-4-3-5-9-15/h3-12,28H,1-2H3
InChI Key:
VQTJNDTWDDUPEE-UHFFFAOYSA-N
SMILES:
CC1=N/C(=C\c2c([nH]c3c2cccc3)c2ccccc2)/C(=O)N1c1nnc(s1)C
Properties
Complexity:
664
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.115g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
399.472g/mol
Monoisotopic Mass:
399.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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