CID 71468145

C23H28O2S — CID 71468145

IUPAC—
SMILESO=C1O[C@H]2[C@@H](CCC3(CC3)[C@@H]3CCC4(CC4)[C@H]23)[C@@H]1CSc1ccccc1
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/t16-,17-,18+,19-,20-/m0/s1
InChIKeyLUXFPYLZWLMCLJ-KNJMJIDISA-N
MW368.54 g/mol
LogP5.32
Rot. Bonds3

About CID 71468145

CID 71468145 (PubChem CID 71468145) has the molecular formula C23H28O2S and a molecular weight of 368.54 g/mol.

Molecular Properties

Compound NameCID 71468145
PubChem CID71468145
Molecular FormulaC23H28O2S
Molecular Weight368.54 g/mol
Exact Mass368.18
IUPAC Name—
SMILESO=C1O[C@H]2[C@@H](CCC3(CC3)[C@@H]3CCC4(CC4)[C@H]23)[C@@H]1CSc1ccccc1
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/t16-,17-,18+,19-,20-/m0/s1
InChIKeyLUXFPYLZWLMCLJ-KNJMJIDISA-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

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Frequently Asked Questions

What is the IUPAC name of CID 71468145?
The IUPAC name of CID 71468145 (CID 71468145) is not available.
What is the SMILES notation for CID 71468145?
The canonical SMILES for CID 71468145 is O=C1O[C@H]2[C@@H](CCC3(CC3)[C@@H]3CCC4(CC4)[C@H]23)[C@@H]1CSc1ccccc1.
What is the InChIKey of CID 71468145?
The InChIKey is LUXFPYLZWLMCLJ-KNJMJIDISA-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/t16-,17-,18+,19-,20-/m0/s1.
What are the key properties of CID 71468145?
CID 71468145 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 71468145 is sourced from PubChem (CID 71468145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).