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89258-11-7 | 2-ACETYL-10-((((3-METHYLPHENYL)METHYLENE)HYDRAZINYL)ACETYL)-10H-PHENOTHIAZINE
CAS No: 89258-11-7 Catalog No: AG0041RH MDL No:
Product Description
Catalog Number:
AG0041RH
Chemical Name:
2-ACETYL-10-((((3-METHYLPHENYL)METHYLENE)HYDRAZINYL)ACETYL)-10H-PHENOTHIAZINE
CAS Number:
89258-11-7
Molecular Formula:
C24H21N3O2S
Molecular Weight:
415.5074
IUPAC Name:
1-(2-acetylphenothiazin-10-yl)-2-[2-[(3-methylphenyl)methylidene]hydrazinyl]ethanone
InChI:
InChI=1S/C24H21N3O2S/c1-16-6-5-7-18(12-16)14-25-26-15-24(29)27-20-8-3-4-9-22(20)30-23-11-10-19(17(2)28)13-21(23)27/h3-14,26H,15H2,1-2H3
InChI Key:
SPILZHPRHBDDTQ-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C=NNCC(=O)N1c2ccccc2Sc2c1cc(cc2)C(=O)C
Properties
Complexity:
654
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.135g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
415.511g/mol
Monoisotopic Mass:
415.135g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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