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810661-20-2 | 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(2-phenylethyl)-, 2,2-dioxide
CAS No: 810661-20-2 Catalog No: AG00562E MDL No:
Product Description
Catalog Number:
AG00562E
Chemical Name:
1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(2-phenylethyl)-, 2,2-dioxide
CAS Number:
810661-20-2
Molecular Formula:
C15H14N2O3S
Molecular Weight:
302.3483
IUPAC Name:
2,2-dioxo-3-(2-phenylethyl)-1H-2λ6,1,3-benzothiadiazin-4-one
InChI:
InChI=1S/C15H14N2O3S/c18-15-13-8-4-5-9-14(13)16-21(19,20)17(15)11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChI Key:
PMTLTDAMPDPFSM-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2NS(=O)(=O)N1CCc1ccccc1
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.073g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.348g/mol
Monoisotopic Mass:
302.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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