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18587-36-5 | 12h-benzo[b]phenothiazin-12-yl(phenyl)methanone
CAS No: 18587-36-5 Catalog No: AG0076C1 MDL No:
Product Description
Catalog Number:
AG0076C1
Chemical Name:
12h-benzo[b]phenothiazin-12-yl(phenyl)methanone
CAS Number:
18587-36-5
Molecular Formula:
C23H15NOS
Molecular Weight:
353.4363
IUPAC Name:
benzo[b]phenothiazin-12-yl(phenyl)methanone
InChI:
InChI=1S/C23H15NOS/c25-23(16-8-2-1-3-9-16)24-19-12-6-7-13-21(19)26-22-15-18-11-5-4-10-17(18)14-20(22)24/h1-15H
InChI Key:
AVGOWIKOHJXCCQ-UHFFFAOYSA-N
SMILES:
O=C(N1c2cc3ccccc3cc2Sc2c1cccc2)c1ccccc1
NSC Number:
116488
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.087g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.439g/mol
Monoisotopic Mass:
353.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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