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860495-79-0 | Benzoic acid, 4-[2-[(1S)-1-(dimethylamino)ethyl]-5-methyl-4-thiazolyl]-
CAS No: 860495-79-0 Catalog No: AG004UC3 MDL No:
Product Description
Catalog Number:
AG004UC3
Chemical Name:
Benzoic acid, 4-[2-[(1S)-1-(dimethylamino)ethyl]-5-methyl-4-thiazolyl]-
CAS Number:
860495-79-0
Molecular Formula:
C15H18N2O2S
Molecular Weight:
290.3806
IUPAC Name:
4-[2-[(1S)-1-(dimethylamino)ethyl]-5-methyl-1,3-thiazol-4-yl]benzoic acid
InChI:
InChI=1S/C15H18N2O2S/c1-9(17(3)4)14-16-13(10(2)20-14)11-5-7-12(8-6-11)15(18)19/h5-9H,1-4H3,(H,18,19)/t9-/m0/s1
InChI Key:
SCDWMEZPRJGJCF-VIFPVBQESA-N
SMILES:
CN([C@H](c1sc(c(n1)c1ccc(cc1)C(=O)O)C)C)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
290.109g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.381g/mol
Monoisotopic Mass:
290.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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