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Home > Thiazole > 1624262-03-8
1624262-03-8 | Carbamic acid, N-[1-(1,2-benzisothiazol-3-yl)-3-piperidinyl]-, phenylmethyl ester
CAS No: 1624262-03-8 Catalog No: AG001T5J MDL No:MFCD28108078
Product Description
Catalog Number:
AG001T5J
Chemical Name:
Carbamic acid, N-[1-(1,2-benzisothiazol-3-yl)-3-piperidinyl]-, phenylmethyl ester
CAS Number:
1624262-03-8
Molecular Formula:
C20H21N3O2S
Molecular Weight:
367.4646
MDL Number:
MFCD28108078
IUPAC Name:
benzyl N-[1-(1,2-benzothiazol-3-yl)piperidin-3-yl]carbamate
InChI:
InChI=1S/C20H21N3O2S/c24-20(25-14-15-7-2-1-3-8-15)21-16-9-6-12-23(13-16)19-17-10-4-5-11-18(17)26-22-19/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,21,24)
InChI Key:
JJNMLOGYBRAKJY-UHFFFAOYSA-N
SMILES:
O=C(NC1CCCN(C1)c1nsc2c1cccc2)OCc1ccccc1
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.135g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
367.467g/mol
Monoisotopic Mass:
367.135g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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