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99541-57-8 | N-[(5E)-5-BUTYLIDENE-2-(3-HYDROXY-4-METHOXY-PHENYL)-4-OXO-THIAZOLIDIN-3-YL]-2-HYDROXY-BENZAMIDE
CAS No: 99541-57-8 Catalog No: AG005S1T MDL No:
Product Description
Catalog Number:
AG005S1T
Chemical Name:
N-[(5E)-5-BUTYLIDENE-2-(3-HYDROXY-4-METHOXY-PHENYL)-4-OXO-THIAZOLIDIN-3-YL]-2-HYDROXY-BENZAMIDE
CAS Number:
99541-57-8
Molecular Formula:
C21H22N2O5S
Molecular Weight:
414.4748
IUPAC Name:
N-[5-butylidene-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide
InChI:
InChI=1S/C21H22N2O5S/c1-3-4-9-18-20(27)23(22-19(26)14-7-5-6-8-15(14)24)21(29-18)13-10-11-17(28-2)16(25)12-13/h5-12,21,24-25H,3-4H2,1-2H3,(H,22,26)
InChI Key:
KKADWALYFLCISQ-UHFFFAOYSA-N
SMILES:
CCC/C=C\1/SC(N(C1=O)NC(=O)c1ccccc1O)c1ccc(c(c1)O)OC
Properties
Complexity:
628
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.125g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
414.476g/mol
Monoisotopic Mass:
414.125g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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