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128312-51-6 | Butanoic acid, 4-[[3-[(1E)-2-(4-cyclobutyl-2-thiazolyl)ethenyl]phenyl]amino]-2,2-diethyl-4-oxo-
CAS No: 128312-51-6 Catalog No: AG000XZL MDL No:
Product Description
Catalog Number:
AG000XZL
Chemical Name:
Butanoic acid, 4-[[3-[(1E)-2-(4-cyclobutyl-2-thiazolyl)ethenyl]phenyl]amino]-2,2-diethyl-4-oxo-
CAS Number:
128312-51-6
Molecular Formula:
C23H28N2O3S
Molecular Weight:
412.5450
IUPAC Name:
4-[3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]anilino]-2,2-diethyl-4-oxobutanoic acid
InChI:
InChI=1S/C23H28N2O3S/c1-3-23(4-2,22(27)28)14-20(26)24-18-10-5-7-16(13-18)11-12-21-25-19(15-29-21)17-8-6-9-17/h5,7,10-13,15,17H,3-4,6,8-9,14H2,1-2H3,(H,24,26)(H,27,28)/b12-11+
InChI Key:
BZMKNPGKXJAIDV-VAWYXSNFSA-N
SMILES:
CCC(C(=O)O)(CC(=O)Nc1cccc(c1)/C=C/c1scc(n1)C1CCC1)CC
UNII:
5E1O433QAI
Properties
Complexity:
601
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
412.182g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
412.548g/mol
Monoisotopic Mass:
412.182g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| Temperature sensitivity of suicidal erythrocyte death. | European journal of clinical investigation 20100601 |
| Participation of leukotriene C(4) in the regulation of suicidal erythrocyte death. | Journal of physiology and pharmacology : an official journal of the Polish Physiological Society 20090901 |
| Complexation study of cinalukast and montelukast with cyclodextrines. | Journal of pharmaceutical and biomedical analysis 20070219 |
| Heterogeneity of binding sites for ICI 198,615 in human lung parenchyma. | Biochemical pharmacology 19921006 |
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