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120164-96-7 | Butanoic acid, 4-[(6-hydroxy-4,5,7-trimethyl-2-benzothiazolyl)amino]-
CAS No: 120164-96-7 Catalog No: AG000QFV MDL No:
Product Description
Catalog Number:
AG000QFV
Chemical Name:
Butanoic acid, 4-[(6-hydroxy-4,5,7-trimethyl-2-benzothiazolyl)amino]-
CAS Number:
120164-96-7
Molecular Formula:
C14H18N2O3S
Molecular Weight:
294.3693
IUPAC Name:
4-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]butanoic acid
InChI:
InChI=1S/C14H18N2O3S/c1-7-8(2)12(19)9(3)13-11(7)16-14(20-13)15-6-4-5-10(17)18/h19H,4-6H2,1-3H3,(H,15,16)(H,17,18)
InChI Key:
QHWOEXFKVLNFOQ-UHFFFAOYSA-N
SMILES:
OC(=O)CCCNc1nc2c(s1)c(C)c(c(c2C)C)O
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.104g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
294.369g/mol
Monoisotopic Mass:
294.104g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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