CID 78077721

C23H28O2S — CID 78077721

IUPAC—
SMILESO=C1OC2C(CCC3(CC3)C3CCC4(CC4)C23)C1CSc1ccccc1
InChIInChI=1S/C23H28O2S/c24-21-17(14-26-15-4-2-1-3-5-15)16-6-8-22(10-11-22)18-7-9-23(12-13-23)19(18)20(16)25-21/h1-5,16-20H,6-14H2
InChIKeyLUXFPYLZWLMCLJ-UHFFFAOYSA-N
MW368.54 g/mol
LogP5.32
Rot. Bonds3

About CID 78077721

CID 78077721 (PubChem CID 78077721) has the molecular formula C23H28O2S and a molecular weight of 368.54 g/mol.

Molecular Properties

Compound NameCID 78077721
PubChem CID78077721
Molecular FormulaC23H28O2S
Molecular Weight368.54 g/mol
Exact Mass368.18
IUPAC Name—
SMILESO=C1OC2C(CCC3(CC3)C3CCC4(CC4)C23)C1CSc1ccccc1
InChIInChI=1S/C23H28O2S/c24-21-17(14-26-15-4-2-1-3-5-15)16-6-8-22(10-11-22)18-7-9-23(12-13-23)19(18)20(16)25-21/h1-5,16-20H,6-14H2
InChIKeyLUXFPYLZWLMCLJ-UHFFFAOYSA-N
XLogP5.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.54
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze CID 78077721 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 78077721?
The IUPAC name of CID 78077721 (CID 78077721) is not available.
What is the SMILES notation for CID 78077721?
The canonical SMILES for CID 78077721 is O=C1OC2C(CCC3(CC3)C3CCC4(CC4)C23)C1CSc1ccccc1.
What is the InChIKey of CID 78077721?
The InChIKey is LUXFPYLZWLMCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O2S/c24-21-17(14-26-15-4-2-1-3-5-15)16-6-8-22(10-11-22)18-7-9-23(12-13-23)19(18)20(16)25-21/h1-5,16-20H,6-14H2.
What are the key properties of CID 78077721?
CID 78077721 has a molecular weight of 368.54 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 78077721 is sourced from PubChem (CID 78077721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).