ethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate

C26H24N4O4 — CID 10276079

IUPACethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2nc(-c3ccc(OC)cc3)nc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C26H24N4O4/c1-4-34-25(31)19-5-11-20(12-6-19)27-26-29-23(17-7-13-21(32-2)14-8-17)28-24(30-26)18-9-15-22(33-3)16-10-18/h5-16H,4H2,1-3H3,(H,27,28,29,30)
InChIKeyXZFMMEDMDMDRJJ-UHFFFAOYSA-N
MW456.50 g/mol
LogP5.14
Rot. Bonds8

About ethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate

ethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate (PubChem CID 10276079) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is ethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate
PubChem CID10276079
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC Nameethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2nc(-c3ccc(OC)cc3)nc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C26H24N4O4/c1-4-34-25(31)19-5-11-20(12-6-19)27-26-29-23(17-7-13-21(32-2)14-8-17)28-24(30-26)18-9-15-22(33-3)16-10-18/h5-16H,4H2,1-3H3,(H,27,28,29,30)
InChIKeyXZFMMEDMDMDRJJ-UHFFFAOYSA-N
XLogP5.14
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.50
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate?
The IUPAC name of ethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate (CID 10276079) is ethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate?
The canonical SMILES for ethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate is CCOC(=O)c1ccc(Nc2nc(-c3ccc(OC)cc3)nc(-c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of ethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate?
The InChIKey is XZFMMEDMDMDRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-4-34-25(31)19-5-11-20(12-6-19)27-26-29-23(17-7-13-21(32-2)14-8-17)28-24(30-26)18-9-15-22(33-3)16-10-18/h5-16H,4H2,1-3H3,(H,27,28,29,30).
What are the key properties of ethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate?
ethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate has a molecular weight of 456.50 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate is sourced from PubChem (CID 10276079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).