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68825-26-3 | 10-(2-Phenylethyl)-10H-phenothiazine
CAS No: 68825-26-3 Catalog No: AG01EWYP MDL No:
Product Description
Catalog Number:
AG01EWYP
Chemical Name:
10-(2-Phenylethyl)-10H-phenothiazine
CAS Number:
68825-26-3
Molecular Formula:
C20H17NS
Molecular Weight:
303.4207
IUPAC Name:
10-(2-phenylethyl)phenothiazine
InChI:
InChI=1S/C20H17NS/c1-2-8-16(9-3-1)14-15-21-17-10-4-6-12-19(17)22-20-13-7-5-11-18(20)21/h1-13H,14-15H2
InChI Key:
CDGMAOXFJJBPPM-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CCN1c2ccccc2Sc2c1cccc2
Properties
Complexity:
330
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:
0
Isotope Atom Count:
0
Molecular Weight:
303.423g/mol
Monoisotopic Mass:
303.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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