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439107-31-0 | 2,2-dimethyl-5-{[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene}-1,3-dioxane-4,6-dione
CAS No: 439107-31-0 Catalog No: AG00IOUA MDL No:MFCD03012135
Product Description
Catalog Number:
AG00IOUA
Chemical Name:
2,2-dimethyl-5-{[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene}-1,3-dioxane-4,6-dione
CAS Number:
439107-31-0
Molecular Formula:
C19H16N2O4S
Molecular Weight:
368.4063
MDL Number:
MFCD03012135
IUPAC Name:
2,2-dimethyl-5-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1,3-dioxane-4,6-dione
InChI:
InChI=1S/C19H16N2O4S/c1-11-4-6-12(7-5-11)15-14(21-8-9-26-18(21)20-15)10-13-16(22)24-19(2,3)25-17(13)23/h4-10H,1-3H3
InChI Key:
RHHWCYPZPOYZKN-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nc2n(c1C=C1C(=O)OC(OC1=O)(C)C)ccs2
Properties
Complexity:
605
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.083g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.407g/mol
Monoisotopic Mass:
368.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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