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66786-24-1 | 10-((((3-(PHENYLMETHOXY)PHENYL)METHYLENE)HYDRAZINO)ACETYL)-10H-PHENOTHIAZINE
CAS No: 66786-24-1 Catalog No: AG006HU6 MDL No:
Product Description
Catalog Number:
AG006HU6
Chemical Name:
10-((((3-(PHENYLMETHOXY)PHENYL)METHYLENE)HYDRAZINO)ACETYL)-10H-PHENOTHIAZINE
CAS Number:
66786-24-1
Molecular Formula:
C28H23N3O2S
Molecular Weight:
465.5661
IUPAC Name:
1-phenothiazin-10-yl-2-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]ethanone
InChI:
InChI=1S/C28H23N3O2S/c32-28(31-24-13-4-6-15-26(24)34-27-16-7-5-14-25(27)31)19-30-29-18-22-11-8-12-23(17-22)33-20-21-9-2-1-3-10-21/h1-18,30H,19-20H2
InChI Key:
QISHPIRNMRWAPT-UHFFFAOYSA-N
SMILES:
O=C(N1c2ccccc2Sc2c1cccc2)CNN=Cc1cccc(c1)OCc1ccccc1
Properties
Complexity:
661
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.151g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
465.571g/mol
Monoisotopic Mass:
465.151g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.2
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