7-(3-tert-butyl-4-fluorophenyl)-4-(2,6-dimethylphenoxy)thieno[2,3-d]pyridazine

C24H23FN2OS — CID 154634202

IUPAC7-(3-tert-butyl-4-fluorophenyl)-4-(2,6-dimethylphenoxy)thieno[2,3-d]pyridazine
SMILESCc1cccc(C)c1Oc1nnc(-c2ccc(F)c(C(C)(C)C)c2)c2sccc12
InChIInChI=1S/C24H23FN2OS/c1-14-7-6-8-15(2)21(14)28-23-17-11-12-29-22(17)20(26-27-23)16-9-10-19(25)18(13-16)24(3,4)5/h6-13H,1-5H3
InChIKeyVPPAWKWHXSUKDL-UHFFFAOYSA-N
MW406.53 g/mol
LogP7.20
Rot. Bonds3

About 7-(3-tert-butyl-4-fluorophenyl)-4-(2,6-dimethylphenoxy)thieno[2,3-d]pyridazine

7-(3-tert-butyl-4-fluorophenyl)-4-(2,6-dimethylphenoxy)thieno[2,3-d]pyridazine (PubChem CID 154634202) has the molecular formula C24H23FN2OS and a molecular weight of 406.53 g/mol. Its IUPAC name is 7-(3-tert-butyl-4-fluorophenyl)-4-(2,6-dimethylphenoxy)thieno[2,3-d]pyridazine.

Molecular Properties

Compound Name7-(3-tert-butyl-4-fluorophenyl)-4-(2,6-dimethylphenoxy)thieno[2,3-d]pyridazine
PubChem CID154634202
Molecular FormulaC24H23FN2OS
Molecular Weight406.53 g/mol
Exact Mass406.15
IUPAC Name7-(3-tert-butyl-4-fluorophenyl)-4-(2,6-dimethylphenoxy)thieno[2,3-d]pyridazine
SMILESCc1cccc(C)c1Oc1nnc(-c2ccc(F)c(C(C)(C)C)c2)c2sccc12
InChIInChI=1S/C24H23FN2OS/c1-14-7-6-8-15(2)21(14)28-23-17-11-12-29-22(17)20(26-27-23)16-9-10-19(25)18(13-16)24(3,4)5/h6-13H,1-5H3
InChIKeyVPPAWKWHXSUKDL-UHFFFAOYSA-N
XLogP7.20
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-tert-butyl-4-fluorophenyl)-4-(2,6-dimethylphenoxy)thieno[2,3-d]pyridazine?
The IUPAC name of 7-(3-tert-butyl-4-fluorophenyl)-4-(2,6-dimethylphenoxy)thieno[2,3-d]pyridazine (CID 154634202) is 7-(3-tert-butyl-4-fluorophenyl)-4-(2,6-dimethylphenoxy)thieno[2,3-d]pyridazine.
What is the SMILES notation for 7-(3-tert-butyl-4-fluorophenyl)-4-(2,6-dimethylphenoxy)thieno[2,3-d]pyridazine?
The canonical SMILES for 7-(3-tert-butyl-4-fluorophenyl)-4-(2,6-dimethylphenoxy)thieno[2,3-d]pyridazine is Cc1cccc(C)c1Oc1nnc(-c2ccc(F)c(C(C)(C)C)c2)c2sccc12.
What is the InChIKey of 7-(3-tert-butyl-4-fluorophenyl)-4-(2,6-dimethylphenoxy)thieno[2,3-d]pyridazine?
The InChIKey is VPPAWKWHXSUKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2OS/c1-14-7-6-8-15(2)21(14)28-23-17-11-12-29-22(17)20(26-27-23)16-9-10-19(25)18(13-16)24(3,4)5/h6-13H,1-5H3.
What are the key properties of 7-(3-tert-butyl-4-fluorophenyl)-4-(2,6-dimethylphenoxy)thieno[2,3-d]pyridazine?
7-(3-tert-butyl-4-fluorophenyl)-4-(2,6-dimethylphenoxy)thieno[2,3-d]pyridazine has a molecular weight of 406.53 g/mol, XLogP of 7.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-tert-butyl-4-fluorophenyl)-4-(2,6-dimethylphenoxy)thieno[2,3-d]pyridazine is sourced from PubChem (CID 154634202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).