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1400566-18-8 | 3-OXO-4-PHENETHYL-3,4-DIHYDRO-2H-BENZO[B][1,4]THIAZINE-7-CARBONITRILE
CAS No: 1400566-18-8 Catalog No: AG01DL5R MDL No:
Product Description
Catalog Number:
AG01DL5R
Chemical Name:
3-OXO-4-PHENETHYL-3,4-DIHYDRO-2H-BENZO[B][1,4]THIAZINE-7-CARBONITRILE
CAS Number:
1400566-18-8
IUPAC Name:
3-oxo-4-(2-phenylethyl)-1,4-benzothiazine-7-carbonitrile
InChI:
InChI=1S/C17H14N2OS/c18-11-14-6-7-15-16(10-14)21-12-17(20)19(15)9-8-13-4-2-1-3-5-13/h1-7,10H,8-9,12H2
InChI Key:
BBMWKLSVNTYSJM-UHFFFAOYSA-N
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.083g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.372g/mol
Monoisotopic Mass:
294.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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