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1420859-79-5 | tert-Butyl ((1-(1,1-dioxidobenzo[d]isothiazol-3-yl)piperidin-2-yl)methyl)carbamate
CAS No: 1420859-79-5 Catalog No: AG00HWB6 MDL No:MFCD22989320
Product Description
Catalog Number:
AG00HWB6
Chemical Name:
tert-Butyl ((1-(1,1-dioxidobenzo[d]isothiazol-3-yl)piperidin-2-yl)methyl)carbamate
CAS Number:
1420859-79-5
Molecular Formula:
C18H25N3O4S
Molecular Weight:
379.4738
MDL Number:
MFCD22989320
IUPAC Name:
tert-butyl N-[[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-2-yl]methyl]carbamate
InChI:
InChI=1S/C18H25N3O4S/c1-18(2,3)25-17(22)19-12-13-8-6-7-11-21(13)16-14-9-4-5-10-15(14)26(23,24)20-16/h4-5,9-10,13H,6-8,11-12H2,1-3H3,(H,19,22)
InChI Key:
VBWDTXPTDNZPQN-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1CCCCN1C1=NS(=O)(=O)c2c1cccc2
Properties
Complexity:
663
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.157g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
379.475g/mol
Monoisotopic Mass:
379.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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