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89258-09-3 | 2-ACETYL-10-((((2-HYDROXY-4-METHOXYPHENYL)METHYLENE)HYDRAZINYL)ACETYL)-10H-PHENOTHIAZINE
CAS No: 89258-09-3 Catalog No: AG0041Z8 MDL No:
Product Description
Catalog Number:
AG0041Z8
Chemical Name:
2-ACETYL-10-((((2-HYDROXY-4-METHOXYPHENYL)METHYLENE)HYDRAZINYL)ACETYL)-10H-PHENOTHIAZINE
CAS Number:
89258-09-3
Molecular Formula:
C24H21N3O4S
Molecular Weight:
447.5062
IUPAC Name:
1-(2-acetylphenothiazin-10-yl)-2-[(2E)-2-[(2-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]ethanone
InChI:
InChI=1S/C24H21N3O4S/c1-15(28)16-8-10-23-20(11-16)27(19-5-3-4-6-22(19)32-23)24(30)14-26-25-13-17-7-9-18(31-2)12-21(17)29/h3-13,26,29H,14H2,1-2H3/b25-13+
InChI Key:
VFYXGWOLDLPFON-DHRITJCHSA-N
SMILES:
COc1ccc(c(c1)O)C=NNCC(=O)N1c2ccccc2Sc2c1cc(cc2)C(=O)C
Properties
Complexity:
705
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
447.125g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
447.509g/mol
Monoisotopic Mass:
447.125g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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