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1002355-72-7 | 1-Piperidinecarboxylic acid, 4-(1,2-benzisothiazol-3-ylamino)-, 1,1-dimethylethyl ester
CAS No: 1002355-72-7 Catalog No: AG0001BK MDL No:
Product Description
Catalog Number:
AG0001BK
Chemical Name:
1-Piperidinecarboxylic acid, 4-(1,2-benzisothiazol-3-ylamino)-, 1,1-dimethylethyl ester
CAS Number:
1002355-72-7
Molecular Formula:
C17H23N3O2S
Molecular Weight:
333.4484
IUPAC Name:
tert-butyl 4-(1,2-benzothiazol-3-ylamino)piperidine-1-carboxylate
InChI:
InChI=1S/C17H23N3O2S/c1-17(2,3)22-16(21)20-10-8-12(9-11-20)18-15-13-6-4-5-7-14(13)23-19-15/h4-7,12H,8-11H2,1-3H3,(H,18,19)
InChI Key:
YEODCDAGTFRJIO-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)Nc1nsc2c1cccc2)OC(C)(C)C
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.151g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.45g/mol
Monoisotopic Mass:
333.151g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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