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67897-43-2 | 10-(((1-(3-((HYDROXYIMINO)METHYL)PHENYL)ETHYLIDENE)HYDRAZINO)ACETYL)-10H-PHENOTHIAZINE
CAS No: 67897-43-2 Catalog No: AG006I7M MDL No:
Product Description
Catalog Number:
AG006I7M
Chemical Name:
10-(((1-(3-((HYDROXYIMINO)METHYL)PHENYL)ETHYLIDENE)HYDRAZINO)ACETYL)-10H-PHENOTHIAZINE
CAS Number:
67897-43-2
Molecular Formula:
C23H20N4O2S
Molecular Weight:
416.4955
IUPAC Name:
2-[2-[1-[3-(hydroxyiminomethyl)phenyl]ethylidene]hydrazinyl]-1-phenothiazin-10-ylethanone
InChI:
InChI=1S/C23H20N4O2S/c1-16(18-8-6-7-17(13-18)14-25-29)26-24-15-23(28)27-19-9-2-4-11-21(19)30-22-12-5-3-10-20(22)27/h2-14,24,29H,15H2,1H3
InChI Key:
SWNAVHHELQKAOY-UHFFFAOYSA-N
SMILES:
ON=Cc1cccc(c1)C(=NNCC(=O)N1c2ccccc2Sc2c1cccc2)C
Properties
Complexity:
633
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.131g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
416.499g/mol
Monoisotopic Mass:
416.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.7
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