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25069-68-5 | 2H-1,4-Benzothiazine, 3,4-dihydro-2,3-diphenyl-
CAS No: 25069-68-5 Catalog No: AG002QDH MDL No:
Product Description
Catalog Number:
AG002QDH
Chemical Name:
2H-1,4-Benzothiazine, 3,4-dihydro-2,3-diphenyl-
CAS Number:
25069-68-5
Molecular Formula:
C20H17NS
Molecular Weight:
303.4207
IUPAC Name:
2,3-diphenyl-3,4-dihydro-2H-1,4-benzothiazine
InChI:
InChI=1S/C20H17NS/c1-3-9-15(10-4-1)19-20(16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)21-19/h1-14,19-21H
InChI Key:
MKQFTRWBJVQNIT-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1Sc2ccccc2NC1c1ccccc1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.108g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.423g/mol
Monoisotopic Mass:
303.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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