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89258-06-0 | 2-ACETYL-10-((((4-HYDROXYPHENYL)METHYLENE)HYDRAZINYL)ACETYL)-10H-PHENOTHIAZINE
CAS No: 89258-06-0 Catalog No: AG0087WZ MDL No:
Product Description
Catalog Number:
AG0087WZ
Chemical Name:
2-ACETYL-10-((((4-HYDROXYPHENYL)METHYLENE)HYDRAZINYL)ACETYL)-10H-PHENOTHIAZINE
CAS Number:
89258-06-0
Molecular Formula:
C23H19N3O3S
Molecular Weight:
417.4803
IUPAC Name:
1-(2-acetylphenothiazin-10-yl)-2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]ethanone
InChI:
InChI=1S/C23H19N3O3S/c1-15(27)17-8-11-22-20(12-17)26(19-4-2-3-5-21(19)30-22)23(29)14-25-24-13-16-6-9-18(28)10-7-16/h2-13,25,28H,14H2,1H3/b24-13+
InChI Key:
WJKAZYCQDCKWNV-ZMOGYAJESA-N
SMILES:
Oc1ccc(cc1)C=NNCC(=O)N1c2ccccc2Sc2c1cc(cc2)C(=O)C
Properties
Complexity:
650
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
417.115g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
417.483g/mol
Monoisotopic Mass:
417.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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