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861213-01-6 | 2-{[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene}-2,3-dihydro-1H-indene-1,3-dione
CAS No: 861213-01-6 Catalog No: AG00IY23 MDL No:MFCD03305659
Product Description
Catalog Number:
AG00IY23
Chemical Name:
2-{[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene}-2,3-dihydro-1H-indene-1,3-dione
CAS Number:
861213-01-6
Molecular Formula:
C22H14N2O2S
Molecular Weight:
370.4238
MDL Number:
MFCD03305659
IUPAC Name:
2-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]indene-1,3-dione
InChI:
InChI=1S/C22H14N2O2S/c1-13-6-8-14(9-7-13)19-18(24-10-11-27-22(24)23-19)12-17-20(25)15-4-2-3-5-16(15)21(17)26/h2-12H,1H3
InChI Key:
KGAKLZQIPOWYGI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nc2n(c1C=C1C(=O)c3c(C1=O)cccc3)ccs2
Properties
Complexity:
629
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.078g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.426g/mol
Monoisotopic Mass:
370.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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