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81950-37-0 | ETHYL (4-IMIDAZO[2,1-B][1,3]BENZOTHIAZOL-2-YLPHENYL)ACETATE
CAS No: 81950-37-0 Catalog No: AG005GAS MDL No:
Product Description
Catalog Number:
AG005GAS
Chemical Name:
ETHYL (4-IMIDAZO[2,1-B][1,3]BENZOTHIAZOL-2-YLPHENYL)ACETATE
CAS Number:
81950-37-0
Molecular Formula:
C19H16N2O2S
Molecular Weight:
336.4075
IUPAC Name:
ethyl 2-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)acetate
InChI:
InChI=1S/C19H16N2O2S/c1-2-23-18(22)11-13-7-9-14(10-8-13)15-12-21-16-5-3-4-6-17(16)24-19(21)20-15/h3-10,12H,2,11H2,1H3
InChI Key:
NTKXSKLSRLWJKX-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccc(cc1)c1cn2c(n1)sc1c2cccc1
NSC Number:
325272
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.093g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.409g/mol
Monoisotopic Mass:
336.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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