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199172-93-5 | 1,2-Benzisothiazol-3(2H)-one, 2-[3-[[(phenylamino)carbonyl]oxy]propyl]-
CAS No: 199172-93-5 Catalog No: AG002BY1 MDL No:
Product Description
Catalog Number:
AG002BY1
Chemical Name:
1,2-Benzisothiazol-3(2H)-one, 2-[3-[[(phenylamino)carbonyl]oxy]propyl]-
CAS Number:
199172-93-5
Molecular Formula:
C17H16N2O3S
Molecular Weight:
328.3855
IUPAC Name:
3-(3-oxo-1,2-benzothiazol-2-yl)propyl N-phenylcarbamate
InChI:
InChI=1S/C17H16N2O3S/c20-16-14-9-4-5-10-15(14)23-19(16)11-6-12-22-17(21)18-13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H,18,21)
InChI Key:
JNERWZNRRZSWFI-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)OCCCn1sc2c(c1=O)cccc2
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.088g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.386g/mol
Monoisotopic Mass:
328.088g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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