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823801-86-1 | 4H-1,4-Benzothiazine, 2-ethyl-3-phenyl-
CAS No: 823801-86-1 Catalog No: AG008KBB MDL No:
Product Description
Catalog Number:
AG008KBB
Chemical Name:
4H-1,4-Benzothiazine, 2-ethyl-3-phenyl-
CAS Number:
823801-86-1
Molecular Formula:
C16H15NS
Molecular Weight:
253.3620
IUPAC Name:
2-ethyl-3-phenyl-4H-1,4-benzothiazine
InChI:
InChI=1S/C16H15NS/c1-2-14-16(12-8-4-3-5-9-12)17-13-10-6-7-11-15(13)18-14/h3-11,17H,2H2,1H3
InChI Key:
KMDNZCMXIZPUGD-UHFFFAOYSA-N
SMILES:
CCC1=C(Nc2c(S1)cccc2)c1ccccc1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.363g/mol
Monoisotopic Mass:
253.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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