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1263279-32-8 | 1-Piperidinecarboxylic acid, 4-[(2-methyl-5-benzothiazolyl)methyl]-, 1,1-dimethylethyl ester
CAS No: 1263279-32-8 Catalog No: AG000SLC MDL No:
Product Description
Catalog Number:
AG000SLC
Chemical Name:
1-Piperidinecarboxylic acid, 4-[(2-methyl-5-benzothiazolyl)methyl]-, 1,1-dimethylethyl ester
CAS Number:
1263279-32-8
Molecular Formula:
C19H26N2O2S
Molecular Weight:
346.4869
IUPAC Name:
tert-butyl 4-[(2-methyl-1,3-benzothiazol-5-yl)methyl]piperidine-1-carboxylate
InChI:
InChI=1S/C19H26N2O2S/c1-13-20-16-12-15(5-6-17(16)24-13)11-14-7-9-21(10-8-14)18(22)23-19(2,3)4/h5-6,12,14H,7-11H2,1-4H3
InChI Key:
AEFYZQKQSITFJN-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)Cc1ccc2c(c1)nc(s2)C)OC(C)(C)C
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.171g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.489g/mol
Monoisotopic Mass:
346.171g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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