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Home > Thiazole > 1417793-63-5
1417793-63-5 | Carbamic acid, N-[1-(1,2-benzisothiazol-3-yl)-4-piperidinyl]-, 1,1-dimethylethyl ester
CAS No: 1417793-63-5 Catalog No: AG001H3S MDL No:MFCD22631656
Product Description
Catalog Number:
AG001H3S
Chemical Name:
Carbamic acid, N-[1-(1,2-benzisothiazol-3-yl)-4-piperidinyl]-, 1,1-dimethylethyl ester
CAS Number:
1417793-63-5
Molecular Formula:
C17H23N3O2S
Molecular Weight:
333.4484
MDL Number:
MFCD22631656
IUPAC Name:
tert-butyl N-[1-(1,2-benzothiazol-3-yl)piperidin-4-yl]carbamate
InChI:
InChI=1S/C17H23N3O2S/c1-17(2,3)22-16(21)18-12-8-10-20(11-9-12)15-13-6-4-5-7-14(13)23-19-15/h4-7,12H,8-11H2,1-3H3,(H,18,21)
InChI Key:
ZKCYPENPNFITGU-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCN(CC1)c1nsc2c1cccc2
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
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