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1420954-82-0 | Carbamic acid, N-[1-(1,1-dioxido-1,2-benzisothiazol-3-yl)-3-piperidinyl]-N-methyl-, 1,1-dimethylethyl ester
CAS No: 1420954-82-0 Catalog No: AG001HR6 MDL No:
Product Description
Catalog Number:
AG001HR6
Chemical Name:
Carbamic acid, N-[1-(1,1-dioxido-1,2-benzisothiazol-3-yl)-3-piperidinyl]-N-methyl-, 1,1-dimethylethyl ester
CAS Number:
1420954-82-0
Molecular Formula:
C18H25N3O4S
Molecular Weight:
379.4738
IUPAC Name:
tert-butyl N-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-3-yl]-N-methylcarbamate
InChI:
InChI=1S/C18H25N3O4S/c1-18(2,3)25-17(22)20(4)13-8-7-11-21(12-13)16-14-9-5-6-10-15(14)26(23,24)19-16/h5-6,9-10,13H,7-8,11-12H2,1-4H3
InChI Key:
CNGXBBNBOQENPL-UHFFFAOYSA-N
SMILES:
O=C(N(C1CCCN(C1)C1=NS(=O)(=O)c2c1cccc2)C)OC(C)(C)C
Properties
Complexity:
678
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.157g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.475g/mol
Monoisotopic Mass:
379.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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