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88320-02-9 | 2H-1,4-Benzothiazine, 3,4-dihydro-4-(1-oxo-3-phenylpropyl)-
CAS No: 88320-02-9 Catalog No: AG0089XA MDL No:
Product Description
Catalog Number:
AG0089XA
Chemical Name:
2H-1,4-Benzothiazine, 3,4-dihydro-4-(1-oxo-3-phenylpropyl)-
CAS Number:
88320-02-9
Molecular Formula:
C17H17NOS
Molecular Weight:
283.3880
IUPAC Name:
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-3-phenylpropan-1-one
InChI:
InChI=1S/C17H17NOS/c19-17(11-10-14-6-2-1-3-7-14)18-12-13-20-16-9-5-4-8-15(16)18/h1-9H,10-13H2
InChI Key:
BNEYNTKMWBFEBW-UHFFFAOYSA-N
SMILES:
O=C(N1CCSc2c1cccc2)CCc1ccccc1
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.389g/mol
Monoisotopic Mass:
283.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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