[2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate

C24H17N3O3S — CID 88910777

IUPAC[2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate
SMILESO=COc1csc(-n2nc(-c3ccccc3)c3ccc(OCc4ccccc4)cc32)n1
InChIInChI=1S/C24H17N3O3S/c28-16-30-22-15-31-24(25-22)27-21-13-19(29-14-17-7-3-1-4-8-17)11-12-20(21)23(26-27)18-9-5-2-6-10-18/h1-13,15-16H,14H2
InChIKeySQTCHSUBICPISU-UHFFFAOYSA-N
MW427.49 g/mol
LogP5.26
Rot. Bonds7

About [2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate

[2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate (PubChem CID 88910777) has the molecular formula C24H17N3O3S and a molecular weight of 427.49 g/mol. Its IUPAC name is [2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate.

Molecular Properties

Compound Name[2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate
PubChem CID88910777
Molecular FormulaC24H17N3O3S
Molecular Weight427.49 g/mol
Exact Mass427.10
IUPAC Name[2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate
SMILESO=COc1csc(-n2nc(-c3ccccc3)c3ccc(OCc4ccccc4)cc32)n1
InChIInChI=1S/C24H17N3O3S/c28-16-30-22-15-31-24(25-22)27-21-13-19(29-14-17-7-3-1-4-8-17)11-12-20(21)23(26-27)18-9-5-2-6-10-18/h1-13,15-16H,14H2
InChIKeySQTCHSUBICPISU-UHFFFAOYSA-N
XLogP5.26
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.49
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate?
The IUPAC name of [2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate (CID 88910777) is [2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate.
What is the SMILES notation for [2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate?
The canonical SMILES for [2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate is O=COc1csc(-n2nc(-c3ccccc3)c3ccc(OCc4ccccc4)cc32)n1.
What is the InChIKey of [2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate?
The InChIKey is SQTCHSUBICPISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O3S/c28-16-30-22-15-31-24(25-22)27-21-13-19(29-14-17-7-3-1-4-8-17)11-12-20(21)23(26-27)18-9-5-2-6-10-18/h1-13,15-16H,14H2.
What are the key properties of [2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate?
[2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate has a molecular weight of 427.49 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 88910777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).