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89258-15-1 | Benzaldehyde,3,4,5-trimethoxy-, 2-[2-(2-acetyl-10H-phenothiazin-10-yl)-2-oxoethyl]hydrazone
CAS No: 89258-15-1 Catalog No: AG0041RG MDL No:
Product Description
Catalog Number:
AG0041RG
Chemical Name:
Benzaldehyde,3,4,5-trimethoxy-, 2-[2-(2-acetyl-10H-phenothiazin-10-yl)-2-oxoethyl]hydrazone
CAS Number:
89258-15-1
Molecular Formula:
C26H25N3O5S
Molecular Weight:
491.5588
IUPAC Name:
1-(2-acetylphenothiazin-10-yl)-2-[2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethanone
InChI:
InChI=1S/C26H25N3O5S/c1-16(30)18-9-10-24-20(13-18)29(19-7-5-6-8-23(19)35-24)25(31)15-28-27-14-17-11-21(32-2)26(34-4)22(12-17)33-3/h5-14,28H,15H2,1-4H3
InChI Key:
DLSWHEQAJMYCIR-UHFFFAOYSA-N
SMILES:
COc1cc(C=NNCC(=O)N2c3ccccc3Sc3c2cc(cc3)C(=O)C)cc(c1OC)OC
Properties
Complexity:
753
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
491.151g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
491.562g/mol
Monoisotopic Mass:
491.151g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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