200,000+ products from a single source!
sales@angenechem.com
Home > Thiazole > 1417794-28-5
1417794-28-5 | Carbamic acid, N-[[1-(1,2-benzisothiazol-3-yl)-4-piperidinyl]methyl]-, 1,1-dimethylethyl ester
CAS No: 1417794-28-5 Catalog No: AG001H59 MDL No:MFCD22631655
Product Description
Catalog Number:
AG001H59
Chemical Name:
Carbamic acid, N-[[1-(1,2-benzisothiazol-3-yl)-4-piperidinyl]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1417794-28-5
Molecular Formula:
C18H25N3O2S
Molecular Weight:
347.4750
MDL Number:
MFCD22631655
IUPAC Name:
tert-butyl N-[[1-(1,2-benzothiazol-3-yl)piperidin-4-yl]methyl]carbamate
InChI:
InChI=1S/C18H25N3O2S/c1-18(2,3)23-17(22)19-12-13-8-10-21(11-9-13)16-14-6-4-5-7-15(14)24-20-16/h4-7,13H,8-12H2,1-3H3,(H,19,22)
InChI Key:
ZVTKXYNQRLVJNG-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1CCN(CC1)c1nsc2c1cccc2
Properties
Complexity:
433
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.