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1417792-98-3 | Carbamic acid, N-[1-(1,2-benzisothiazol-3-yl)-3-piperidinyl]-N-methyl-, 1,1-dimethylethyl ester
CAS No: 1417792-98-3 Catalog No: AG001H3M MDL No:MFCD22631658
Product Description
Catalog Number:
AG001H3M
Chemical Name:
Carbamic acid, N-[1-(1,2-benzisothiazol-3-yl)-3-piperidinyl]-N-methyl-, 1,1-dimethylethyl ester
CAS Number:
1417792-98-3
Molecular Formula:
C18H25N3O2S
Molecular Weight:
347.4750
MDL Number:
MFCD22631658
IUPAC Name:
tert-butyl N-[1-(1,2-benzothiazol-3-yl)piperidin-3-yl]-N-methylcarbamate
InChI:
InChI=1S/C18H25N3O2S/c1-18(2,3)23-17(22)20(4)13-8-7-11-21(12-13)16-14-9-5-6-10-15(14)24-19-16/h5-6,9-10,13H,7-8,11-12H2,1-4H3
InChI Key:
XGLMLYWYDCVHQT-UHFFFAOYSA-N
SMILES:
O=C(N(C1CCCN(C1)c1nsc2c1cccc2)C)OC(C)(C)C
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.167g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.477g/mol
Monoisotopic Mass:
347.167g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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