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1420816-34-7 | Carbamic acid, N-[1-(1,1-dioxido-1,2-benzisothiazol-3-yl)-3-piperidinyl]-, 1,1-dimethylethyl ester
CAS No: 1420816-34-7 Catalog No: AG001HPP MDL No:
Product Description
Catalog Number:
AG001HPP
Chemical Name:
Carbamic acid, N-[1-(1,1-dioxido-1,2-benzisothiazol-3-yl)-3-piperidinyl]-, 1,1-dimethylethyl ester
CAS Number:
1420816-34-7
Molecular Formula:
C17H23N3O4S
Molecular Weight:
365.4472
IUPAC Name:
tert-butyl N-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-3-yl]carbamate
InChI:
InChI=1S/C17H23N3O4S/c1-17(2,3)24-16(21)18-12-7-6-10-20(11-12)15-13-8-4-5-9-14(13)25(22,23)19-15/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,18,21)
InChI Key:
CZOYVOWDRVLKDN-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCCN(C1)C1=NS(=O)(=O)c2c1cccc2
Properties
Complexity:
648
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.141g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.448g/mol
Monoisotopic Mass:
365.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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