3,4,5-trimethoxy-N'-[1-(10H-phenothiazin-2-yl)ethenyl]benzohydrazide

C24H23N3O4S — CID 2366127

IUPAC3,4,5-trimethoxy-N'-[1-(10H-phenothiazin-2-yl)ethenyl]benzohydrazide
SMILESC=C(NNC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C24H23N3O4S/c1-14(15-9-10-22-18(11-15)25-17-7-5-6-8-21(17)32-22)26-27-24(28)16-12-19(29-2)23(31-4)20(13-16)30-3/h5-13,25-26H,1H2,2-4H3,(H,27,28)
InChIKeyNCPVFPDVHYWAOX-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.83
Rot. Bonds7

About 3,4,5-trimethoxy-N'-[1-(10H-phenothiazin-2-yl)ethenyl]benzohydrazide

3,4,5-trimethoxy-N'-[1-(10H-phenothiazin-2-yl)ethenyl]benzohydrazide (PubChem CID 2366127) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N'-[1-(10H-phenothiazin-2-yl)ethenyl]benzohydrazide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N'-[1-(10H-phenothiazin-2-yl)ethenyl]benzohydrazide
PubChem CID2366127
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name3,4,5-trimethoxy-N'-[1-(10H-phenothiazin-2-yl)ethenyl]benzohydrazide
SMILESC=C(NNC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C24H23N3O4S/c1-14(15-9-10-22-18(11-15)25-17-7-5-6-8-21(17)32-22)26-27-24(28)16-12-19(29-2)23(31-4)20(13-16)30-3/h5-13,25-26H,1H2,2-4H3,(H,27,28)
InChIKeyNCPVFPDVHYWAOX-UHFFFAOYSA-N
XLogP4.83
TPSA80.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,4,5-trimethoxy-N'-[1-(10H-phenothiazin-2-yl)ethenyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,5-trimethoxy-N'-[1-(4-methylphenyl)ethenyl]benzohydrazide
CID 2352026
3,4,5-trimethoxy-N'-[1-(3-methoxyphenyl)ethenyl]benzohydrazide
CID 2401018
N'-[2-(2-fluorophenyl)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 2117359
3-hydroxy-N'-[1-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene-2-carbohydrazide
CID 5174774
3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzamide
CID 43056910
N'-acetyl-3,4,5-trimethoxybenzohydrazide
CID 913637
N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715
N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide
CID 9074069
N'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide
CID 30455105
4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126231777
N'-(3-iodobenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 2715629
N'-(2-ethoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4926525

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N'-[1-(10H-phenothiazin-2-yl)ethenyl]benzohydrazide?
The IUPAC name of 3,4,5-trimethoxy-N'-[1-(10H-phenothiazin-2-yl)ethenyl]benzohydrazide (CID 2366127) is 3,4,5-trimethoxy-N'-[1-(10H-phenothiazin-2-yl)ethenyl]benzohydrazide.
What is the SMILES notation for 3,4,5-trimethoxy-N'-[1-(10H-phenothiazin-2-yl)ethenyl]benzohydrazide?
The canonical SMILES for 3,4,5-trimethoxy-N'-[1-(10H-phenothiazin-2-yl)ethenyl]benzohydrazide is C=C(NNC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)Nc1ccccc1S2.
What is the InChIKey of 3,4,5-trimethoxy-N'-[1-(10H-phenothiazin-2-yl)ethenyl]benzohydrazide?
The InChIKey is NCPVFPDVHYWAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-14(15-9-10-22-18(11-15)25-17-7-5-6-8-21(17)32-22)26-27-24(28)16-12-19(29-2)23(31-4)20(13-16)30-3/h5-13,25-26H,1H2,2-4H3,(H,27,28).
What are the key properties of 3,4,5-trimethoxy-N'-[1-(10H-phenothiazin-2-yl)ethenyl]benzohydrazide?
3,4,5-trimethoxy-N'-[1-(10H-phenothiazin-2-yl)ethenyl]benzohydrazide has a molecular weight of 449.53 g/mol, XLogP of 4.83, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N'-[1-(10H-phenothiazin-2-yl)ethenyl]benzohydrazide is sourced from PubChem (CID 2366127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).