ethoxyphosphanylmethyl 3-phenothiazin-10-ylpropanoate

C18H20NO3PS — CID 142057273

IUPACethoxyphosphanylmethyl 3-phenothiazin-10-ylpropanoate
SMILESCCOPCOC(=O)CCN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C18H20NO3PS/c1-2-22-23-13-21-18(20)11-12-19-14-7-3-5-9-16(14)24-17-10-6-4-8-15(17)19/h3-10,23H,2,11-13H2,1H3
InChIKeyGRTLPNDXDQYLHB-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.81
Rot. Bonds7

About ethoxyphosphanylmethyl 3-phenothiazin-10-ylpropanoate

ethoxyphosphanylmethyl 3-phenothiazin-10-ylpropanoate (PubChem CID 142057273) has the molecular formula C18H20NO3PS and a molecular weight of 361.40 g/mol. Its IUPAC name is ethoxyphosphanylmethyl 3-phenothiazin-10-ylpropanoate.

Molecular Properties

Compound Nameethoxyphosphanylmethyl 3-phenothiazin-10-ylpropanoate
PubChem CID142057273
Molecular FormulaC18H20NO3PS
Molecular Weight361.40 g/mol
Exact Mass361.09
IUPAC Nameethoxyphosphanylmethyl 3-phenothiazin-10-ylpropanoate
SMILESCCOPCOC(=O)CCN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C18H20NO3PS/c1-2-22-23-13-21-18(20)11-12-19-14-7-3-5-9-16(14)24-17-10-6-4-8-15(17)19/h3-10,23H,2,11-13H2,1H3
InChIKeyGRTLPNDXDQYLHB-UHFFFAOYSA-N
XLogP4.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze ethoxyphosphanylmethyl 3-phenothiazin-10-ylpropanoate 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

ethyl 3-phenothiazin-10-ylpropanoate
CID 20768351
hydrazinyl 3-phenothiazin-10-ylpropanoate
CID 66337325
ethyl 3-(7-azabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)propanoate
CID 142874027
[2-(4-acetamidoanilino)-2-oxoethyl] 3-phenothiazin-10-ylpropanoate
CID 2357448
ethyl 2,4-dimethyl-5-[2-(3-phenothiazin-10-ylpropanoyloxy)acetyl]-1H-pyrrole-3-carboxylate
CID 2419595
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 3-phenothiazin-10-ylpropanoate
CID 2368197
[2-oxo-2-(1-phenylethylamino)ethyl] 3-phenothiazin-10-ylpropanoate
CID 4648149
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-phenothiazin-10-ylpropanoate
CID 29169336
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 3-phenothiazin-10-ylpropanoate
CID 5185612
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 3-phenothiazin-10-ylpropanoate
CID 2111863
ethyl (E)-N-(3-phenothiazin-10-ylpropanoyl)benzenecarbohydrazonate
CID 11091033
[3-(trifluoromethyl)phenyl]methyl 3-phenothiazin-10-ylpropanoate
CID 2392015

Frequently Asked Questions

What is the IUPAC name of ethoxyphosphanylmethyl 3-phenothiazin-10-ylpropanoate?
The IUPAC name of ethoxyphosphanylmethyl 3-phenothiazin-10-ylpropanoate (CID 142057273) is ethoxyphosphanylmethyl 3-phenothiazin-10-ylpropanoate.
What is the SMILES notation for ethoxyphosphanylmethyl 3-phenothiazin-10-ylpropanoate?
The canonical SMILES for ethoxyphosphanylmethyl 3-phenothiazin-10-ylpropanoate is CCOPCOC(=O)CCN1c2ccccc2Sc2ccccc21.
What is the InChIKey of ethoxyphosphanylmethyl 3-phenothiazin-10-ylpropanoate?
The InChIKey is GRTLPNDXDQYLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20NO3PS/c1-2-22-23-13-21-18(20)11-12-19-14-7-3-5-9-16(14)24-17-10-6-4-8-15(17)19/h3-10,23H,2,11-13H2,1H3.
What are the key properties of ethoxyphosphanylmethyl 3-phenothiazin-10-ylpropanoate?
ethoxyphosphanylmethyl 3-phenothiazin-10-ylpropanoate has a molecular weight of 361.40 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyphosphanylmethyl 3-phenothiazin-10-ylpropanoate is sourced from PubChem (CID 142057273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).