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120164-78-5 | Pentanoic acid, 5-[(6-hydroxy-4,5,7-trimethyl-2-benzothiazolyl)amino]-5-oxo-, ethyl ester
CAS No: 120164-78-5 Catalog No: AG000QFX MDL No:
Product Description
Catalog Number:
AG000QFX
Chemical Name:
Pentanoic acid, 5-[(6-hydroxy-4,5,7-trimethyl-2-benzothiazolyl)amino]-5-oxo-, ethyl ester
CAS Number:
120164-78-5
Molecular Formula:
C17H22N2O4S
Molecular Weight:
350.4326
IUPAC Name:
ethyl 5-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]-5-oxopentanoate
InChI:
InChI=1S/C17H22N2O4S/c1-5-23-13(21)8-6-7-12(20)18-17-19-14-9(2)10(3)15(22)11(4)16(14)24-17/h22H,5-8H2,1-4H3,(H,18,19,20)
InChI Key:
GILPIHJFTHSMMF-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCC(=O)Nc1nc2c(s1)c(C)c(c(c2C)C)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:
350.13g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
350.433g/mol
Monoisotopic Mass:
350.13g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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