[4-(3,4-dichlorophenyl)phenyl]-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]methanone

C23H20Cl2N2OS — CID 121154324

About [4-(3,4-dichlorophenyl)phenyl]-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]methanone

[4-(3,4-dichlorophenyl)phenyl]-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]methanone (PubChem CID 121154324) has the molecular formula C23H20Cl2N2OS and a molecular weight of 443.40 g/mol. Its IUPAC name is [4-(3,4-dichlorophenyl)phenyl]-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-(3,4-dichlorophenyl)phenyl]-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]methanone
• PubChem CID: 121154324
• Molecular Formula: C23H20Cl2N2OS
• Molecular Weight: 443.40 g/mol
• Exact Mass: 442.07
• IUPAC Name: [4-(3,4-dichlorophenyl)phenyl]-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]methanone
• SMILES: O=C(c1ccc(-c2ccc(Cl)c(Cl)c2)cc1)N1CC(N2CCc3sccc3C2)C1
• InChI: InChI=1S/C23H20Cl2N2OS/c24-20-6-5-17(11-21(20)25)15-1-3-16(4-2-15)23(28)27-13-19(14-27)26-9-7-22-18(12-26)8-10-29-22/h1-6,8,10-11,19H,7,9,12-14H2
• InChIKey: AUCQZDBKLPLTHX-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 23.55 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.40
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dichlorophenyl)phenyl]-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]methanone?

The IUPAC name of [4-(3,4-dichlorophenyl)phenyl]-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]methanone (CID 121154324) is [4-(3,4-dichlorophenyl)phenyl]-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]methanone.

What is the SMILES notation for [4-(3,4-dichlorophenyl)phenyl]-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]methanone?

The canonical SMILES for [4-(3,4-dichlorophenyl)phenyl]-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]methanone is O=C(c1ccc(-c2ccc(Cl)c(Cl)c2)cc1)N1CC(N2CCc3sccc3C2)C1.

What is the InChIKey of [4-(3,4-dichlorophenyl)phenyl]-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]methanone?

The InChIKey is AUCQZDBKLPLTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2OS/c24-20-6-5-17(11-21(20)25)15-1-3-16(4-2-15)23(28)27-13-19(14-27)26-9-7-22-18(12-26)8-10-29-22/h1-6,8,10-11,19H,7,9,12-14H2.

What are the key properties of [4-(3,4-dichlorophenyl)phenyl]-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]methanone?

[4-(3,4-dichlorophenyl)phenyl]-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]methanone has a molecular weight of 443.40 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(3,4-dichlorophenyl)phenyl]-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 121154324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).