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102612-89-5 | 5-Thiazoleacetic acid, 4-(4-chlorophenyl)-2-[[(2-methoxyphenyl)methyl]amino]-
CAS No: 102612-89-5 Catalog No: AG0007XI MDL No:
Product Description
Catalog Number:
AG0007XI
Chemical Name:
5-Thiazoleacetic acid, 4-(4-chlorophenyl)-2-[[(2-methoxyphenyl)methyl]amino]-
CAS Number:
102612-89-5
Molecular Formula:
C19H17ClN2O3S
Molecular Weight:
388.8679
IUPAC Name:
2-[4-(4-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]-1,3-thiazol-5-yl]acetic acid
InChI:
InChI=1S/C19H17ClN2O3S/c1-25-15-5-3-2-4-13(15)11-21-19-22-18(16(26-19)10-17(23)24)12-6-8-14(20)9-7-12/h2-9H,10-11H2,1H3,(H,21,22)(H,23,24)
InChI Key:
MSCUALQUKYBRAV-UHFFFAOYSA-N
SMILES:
COc1ccccc1CNc1sc(c(n1)c1ccc(cc1)Cl)CC(=O)O
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.065g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
388.866g/mol
Monoisotopic Mass:
388.065g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
99.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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