3-(bromomethyl)-4H-pyran;2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 4-chloro-2-(4-chlorophenyl)thieno[2,3-d]pyridazine-7-carboxylate;ethyl 2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxylate

C61H48BrCl4N7O8S3 — CID 159425230

About 3-(bromomethyl)-4H-pyran;2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 4-chloro-2-(4-chlorophenyl)thieno[2,3-d]pyridazine-7-carboxylate;ethyl 2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxylate

3-(bromomethyl)-4H-pyran;2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 4-chloro-2-(4-chlorophenyl)thieno[2,3-d]pyridazine-7-carboxylate;ethyl 2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxylate (PubChem CID 159425230) has the molecular formula C61H48BrCl4N7O8S3 and a molecular weight of 1325.01 g/mol. Its IUPAC name is 3-(bromomethyl)-4H-pyran;2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 4-chloro-2-(4-chlorophenyl)thieno[2,3-d]pyridazine-7-carboxylate;ethyl 2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxylate.

Molecular Properties

• Compound Name: 3-(bromomethyl)-4H-pyran;2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 4-chloro-2-(4-chlorophenyl)thieno[2,3-d]pyridazine-7-carboxylate;ethyl 2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxylate
• PubChem CID: 159425230
• Molecular Formula: C61H48BrCl4N7O8S3
• Molecular Weight: 1325.01 g/mol
• Exact Mass: 1321.07
• IUPAC Name: 3-(bromomethyl)-4H-pyran;2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 4-chloro-2-(4-chlorophenyl)thieno[2,3-d]pyridazine-7-carboxylate;ethyl 2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxylate
• SMILES: BrCC1=COC=CC1.CCOC(=O)c1nnc(CC2=COC=CC2)c2cc(-c3ccc(Cl)cc3)sc12.CCOC(=O)c1nnc(Cl)c2cc(-c3ccc(Cl)cc3)sc12.NC(=O)c1nnc(CC2=COC=CC2)c2cc(-c3ccc(Cl)cc3)sc12
• InChI: InChI=1S/C21H17ClN2O3S.C19H14ClN3O2S.C15H10Cl2N2O2S.C6H7BrO/c1-2-27-21(25)19-20-16(11-18(28-20)14-5-7-15(22)8-6-14)17(23-24-19)10-13-4-3-9-26-12-13;20-13-5-3-12(4-6-13)16-9-14-15(8-11-2-1-7-25-10-11)22-23-17(19(21)24)18(14)26-16;1-2-21-15(20)12-13-10(14(17)19-18-12)7-11(22-13)8-3-5-9(16)6-4-8;7-4-6-2-1-3-8-5-6/h3,5-9,11-12H,2,4,10H2,1H3;1,3-7,9-10H,2,8H2,(H2,21,24);3-7H,2H2,1H3;1,3,5H,2,4H2
• InChIKey: LQGNVJHCPHFOTE-UHFFFAOYSA-N
• XLogP: 17.06
• TPSA: 200.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1325.01
LogP ≤ 5	17.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-4H-pyran;2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 4-chloro-2-(4-chlorophenyl)thieno[2,3-d]pyridazine-7-carboxylate;ethyl 2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxylate?

The IUPAC name of 3-(bromomethyl)-4H-pyran;2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 4-chloro-2-(4-chlorophenyl)thieno[2,3-d]pyridazine-7-carboxylate;ethyl 2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxylate (CID 159425230) is 3-(bromomethyl)-4H-pyran;2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 4-chloro-2-(4-chlorophenyl)thieno[2,3-d]pyridazine-7-carboxylate;ethyl 2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxylate.

What is the SMILES notation for 3-(bromomethyl)-4H-pyran;2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 4-chloro-2-(4-chlorophenyl)thieno[2,3-d]pyridazine-7-carboxylate;ethyl 2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxylate?

The canonical SMILES for 3-(bromomethyl)-4H-pyran;2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 4-chloro-2-(4-chlorophenyl)thieno[2,3-d]pyridazine-7-carboxylate;ethyl 2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxylate is BrCC1=COC=CC1.CCOC(=O)c1nnc(CC2=COC=CC2)c2cc(-c3ccc(Cl)cc3)sc12.CCOC(=O)c1nnc(Cl)c2cc(-c3ccc(Cl)cc3)sc12.NC(=O)c1nnc(CC2=COC=CC2)c2cc(-c3ccc(Cl)cc3)sc12.

What is the InChIKey of 3-(bromomethyl)-4H-pyran;2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 4-chloro-2-(4-chlorophenyl)thieno[2,3-d]pyridazine-7-carboxylate;ethyl 2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxylate?

The InChIKey is LQGNVJHCPHFOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3S.C19H14ClN3O2S.C15H10Cl2N2O2S.C6H7BrO/c1-2-27-21(25)19-20-16(11-18(28-20)14-5-7-15(22)8-6-14)17(23-24-19)10-13-4-3-9-26-12-13;20-13-5-3-12(4-6-13)16-9-14-15(8-11-2-1-7-25-10-11)22-23-17(19(21)24)18(14)26-16;1-2-21-15(20)12-13-10(14(17)19-18-12)7-11(22-13)8-3-5-9(16)6-4-8;7-4-6-2-1-3-8-5-6/h3,5-9,11-12H,2,4,10H2,1H3;1,3-7,9-10H,2,8H2,(H2,21,24);3-7H,2H2,1H3;1,3,5H,2,4H2.

What are the key properties of 3-(bromomethyl)-4H-pyran;2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 4-chloro-2-(4-chlorophenyl)thieno[2,3-d]pyridazine-7-carboxylate;ethyl 2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxylate?

3-(bromomethyl)-4H-pyran;2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 4-chloro-2-(4-chlorophenyl)thieno[2,3-d]pyridazine-7-carboxylate;ethyl 2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxylate has a molecular weight of 1325.01 g/mol, XLogP of 17.06, 13 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(bromomethyl)-4H-pyran;2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 4-chloro-2-(4-chlorophenyl)thieno[2,3-d]pyridazine-7-carboxylate;ethyl 2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxylate is sourced from PubChem (CID 159425230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).