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35333-95-0 | (2z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methylphenyl)imino]-1,3-thiazolidin-4-one
CAS No: 35333-95-0 Catalog No: AG007DP1 MDL No:
Product Description
Catalog Number:
AG007DP1
Chemical Name:
(2z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methylphenyl)imino]-1,3-thiazolidin-4-one
CAS Number:
35333-95-0
Molecular Formula:
C20H22N2O3S
Molecular Weight:
370.4653
IUPAC Name:
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
InChI:
InChI=1S/C20H22N2O3S/c1-14-6-4-5-7-16(14)21-20-22(19(23)13-26-20)11-10-15-8-9-17(24-2)18(12-15)25-3/h4-9,12H,10-11,13H2,1-3H3
InChI Key:
CTXKSPKRNPJNAX-UHFFFAOYSA-N
SMILES:
COc1cc(CCN2C(=O)CS/C/2=N\c2ccccc2C)ccc1OC
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.135g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.467g/mol
Monoisotopic Mass:
370.135g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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