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96973-30-7 | 2H-1,4-Benzothiazin-3(4H)-one, 4-[2-(4-morpholinyl)ethyl]-2-phenyl-
CAS No: 96973-30-7 Catalog No: AG006ODE MDL No:
Product Description
Catalog Number:
AG006ODE
Chemical Name:
2H-1,4-Benzothiazin-3(4H)-one, 4-[2-(4-morpholinyl)ethyl]-2-phenyl-
CAS Number:
96973-30-7
Molecular Formula:
C20H22N2O2S
Molecular Weight:
354.4659
IUPAC Name:
4-(2-morpholin-4-ylethyl)-2-phenyl-1,4-benzothiazin-3-one
InChI:
InChI=1S/C20H22N2O2S/c23-20-19(16-6-2-1-3-7-16)25-18-9-5-4-8-17(18)22(20)11-10-21-12-14-24-15-13-21/h1-9,19H,10-15H2
InChI Key:
JYVADMQCHJHTET-UHFFFAOYSA-N
SMILES:
O=C1C(Sc2c(N1CCN1CCOCC1)cccc2)c1ccccc1
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.14g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.468g/mol
Monoisotopic Mass:
354.14g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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