(Z)-but-2-ene;2-phenyl-1-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanone

C32H36F3N3OS — CID 142888729

About (Z)-but-2-ene;2-phenyl-1-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanone

(Z)-but-2-ene;2-phenyl-1-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanone (PubChem CID 142888729) has the molecular formula C32H36F3N3OS and a molecular weight of 567.72 g/mol. Its IUPAC name is (Z)-but-2-ene;2-phenyl-1-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: (Z)-but-2-ene;2-phenyl-1-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanone
• PubChem CID: 142888729
• Molecular Formula: C32H36F3N3OS
• Molecular Weight: 567.72 g/mol
• Exact Mass: 567.25
• IUPAC Name: (Z)-but-2-ene;2-phenyl-1-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanone
• SMILES: C/C=C\C.O=C(Cc1ccccc1)N1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
• InChI: InChI=1S/C28H28F3N3OS.C4H8/c29-28(30,31)22-11-12-26-24(20-22)34(23-9-4-5-10-25(23)36-26)14-6-13-32-15-17-33(18-16-32)27(35)19-21-7-2-1-3-8-21;1-3-4-2/h1-5,7-12,20H,6,13-19H2;3-4H,1-2H3/b;4-3-
• InChIKey: VLSCKYXIJMYANJ-QGAMPUOQSA-N
• XLogP: 7.67
• TPSA: 26.79 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.72
LogP ≤ 5	7.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;2-phenyl-1-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanone?

The IUPAC name of (Z)-but-2-ene;2-phenyl-1-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanone (CID 142888729) is (Z)-but-2-ene;2-phenyl-1-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanone.

What is the SMILES notation for (Z)-but-2-ene;2-phenyl-1-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanone?

The canonical SMILES for (Z)-but-2-ene;2-phenyl-1-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanone is C/C=C\C.O=C(Cc1ccccc1)N1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.

What is the InChIKey of (Z)-but-2-ene;2-phenyl-1-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanone?

The InChIKey is VLSCKYXIJMYANJ-QGAMPUOQSA-N. The full InChI is InChI=1S/C28H28F3N3OS.C4H8/c29-28(30,31)22-11-12-26-24(20-22)34(23-9-4-5-10-25(23)36-26)14-6-13-32-15-17-33(18-16-32)27(35)19-21-7-2-1-3-8-21;1-3-4-2/h1-5,7-12,20H,6,13-19H2;3-4H,1-2H3/b;4-3-.

What are the key properties of (Z)-but-2-ene;2-phenyl-1-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanone?

(Z)-but-2-ene;2-phenyl-1-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanone has a molecular weight of 567.72 g/mol, XLogP of 7.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-but-2-ene;2-phenyl-1-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 142888729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).