7-[2-(2-methoxyethoxy)phenyl]-4-phenylthieno[2,3-d]pyridazine

C21H18N2O2S — CID 176700835

IUPAC7-[2-(2-methoxyethoxy)phenyl]-4-phenylthieno[2,3-d]pyridazine
SMILESCOCCOc1ccccc1-c1nnc(-c2ccccc2)c2ccsc12
InChIInChI=1S/C21H18N2O2S/c1-24-12-13-25-18-10-6-5-9-16(18)20-21-17(11-14-26-21)19(22-23-20)15-7-3-2-4-8-15/h2-11,14H,12-13H2,1H3
InChIKeySHOKHAVBRYXFRZ-UHFFFAOYSA-N
MW362.45 g/mol
LogP5.05
Rot. Bonds6

About 7-[2-(2-methoxyethoxy)phenyl]-4-phenylthieno[2,3-d]pyridazine

7-[2-(2-methoxyethoxy)phenyl]-4-phenylthieno[2,3-d]pyridazine (PubChem CID 176700835) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is 7-[2-(2-methoxyethoxy)phenyl]-4-phenylthieno[2,3-d]pyridazine.

Molecular Properties

Compound Name7-[2-(2-methoxyethoxy)phenyl]-4-phenylthieno[2,3-d]pyridazine
PubChem CID176700835
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Name7-[2-(2-methoxyethoxy)phenyl]-4-phenylthieno[2,3-d]pyridazine
SMILESCOCCOc1ccccc1-c1nnc(-c2ccccc2)c2ccsc12
InChIInChI=1S/C21H18N2O2S/c1-24-12-13-25-18-10-6-5-9-16(18)20-21-17(11-14-26-21)19(22-23-20)15-7-3-2-4-8-15/h2-11,14H,12-13H2,1H3
InChIKeySHOKHAVBRYXFRZ-UHFFFAOYSA-N
XLogP5.05
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.45
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-methoxyethoxy)phenyl]-4-phenylthieno[2,3-d]pyridazine?
The IUPAC name of 7-[2-(2-methoxyethoxy)phenyl]-4-phenylthieno[2,3-d]pyridazine (CID 176700835) is 7-[2-(2-methoxyethoxy)phenyl]-4-phenylthieno[2,3-d]pyridazine.
What is the SMILES notation for 7-[2-(2-methoxyethoxy)phenyl]-4-phenylthieno[2,3-d]pyridazine?
The canonical SMILES for 7-[2-(2-methoxyethoxy)phenyl]-4-phenylthieno[2,3-d]pyridazine is COCCOc1ccccc1-c1nnc(-c2ccccc2)c2ccsc12.
What is the InChIKey of 7-[2-(2-methoxyethoxy)phenyl]-4-phenylthieno[2,3-d]pyridazine?
The InChIKey is SHOKHAVBRYXFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-24-12-13-25-18-10-6-5-9-16(18)20-21-17(11-14-26-21)19(22-23-20)15-7-3-2-4-8-15/h2-11,14H,12-13H2,1H3.
What are the key properties of 7-[2-(2-methoxyethoxy)phenyl]-4-phenylthieno[2,3-d]pyridazine?
7-[2-(2-methoxyethoxy)phenyl]-4-phenylthieno[2,3-d]pyridazine has a molecular weight of 362.45 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-methoxyethoxy)phenyl]-4-phenylthieno[2,3-d]pyridazine is sourced from PubChem (CID 176700835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).