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Home > Thiazole > 1417793-46-4
1417793-46-4 | Carbamic acid, N-[[1-(1,2-benzisothiazol-3-yl)-2-piperidinyl]methyl]-, 1,1-dimethylethyl ester
CAS No: 1417793-46-4 Catalog No: AG001H46 MDL No:
Product Description
Catalog Number:
AG001H46
Chemical Name:
Carbamic acid, N-[[1-(1,2-benzisothiazol-3-yl)-2-piperidinyl]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1417793-46-4
Molecular Formula:
C18H25N3O2S
Molecular Weight:
347.4750
IUPAC Name:
tert-butyl N-[[1-(1,2-benzothiazol-3-yl)piperidin-2-yl]methyl]carbamate
InChI:
InChI=1S/C18H25N3O2S/c1-18(2,3)23-17(22)19-12-13-8-6-7-11-21(13)16-14-9-4-5-10-15(14)24-20-16/h4-5,9-10,13H,6-8,11-12H2,1-3H3,(H,19,22)
InChI Key:
FDTAGAYLCZEALS-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1CCCCN1c1nsc2c1cccc2
Properties
Complexity:
441
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:
1
Isotope Atom Count:
0
Molecular Weight:
347.477g/mol
Monoisotopic Mass:
347.167g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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