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81950-30-3 | ETHYL (2-(4-METHOXYPHENYL)IMIDAZO[2,1-B][1,3]BENZOTHIAZOL-7-YL)ACETATE
CAS No: 81950-30-3 Catalog No: AG005GAU MDL No:
Product Description
Catalog Number:
AG005GAU
Chemical Name:
ETHYL (2-(4-METHOXYPHENYL)IMIDAZO[2,1-B][1,3]BENZOTHIAZOL-7-YL)ACETATE
CAS Number:
81950-30-3
Molecular Formula:
C20H18N2O3S
Molecular Weight:
366.4335
IUPAC Name:
ethyl 2-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]acetate
InChI:
InChI=1S/C20H18N2O3S/c1-3-25-19(23)11-13-4-9-17-18(10-13)26-20-21-16(12-22(17)20)14-5-7-15(24-2)8-6-14/h4-10,12H,3,11H2,1-2H3
InChI Key:
UHGMWULLGNTGGY-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccc2c(c1)sc1n2cc(n1)c1ccc(cc1)OC
UNII:
9YL9N29OE1
NSC Number:
325271
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.104g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.435g/mol
Monoisotopic Mass:
366.104g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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