CID 66712144

C20H25N3O3SSi — CID 66712144

IUPAC—
SMILESCC(C)(C)[Si]OC(C)(C)c1cccc(-c2ccc3cnc(S(C)(=O)=O)nn23)c1
InChIInChI=1S/C20H25N3O3SSi/c1-19(2,3)28-26-20(4,5)15-9-7-8-14(12-15)17-11-10-16-13-21-18(22-23(16)17)27(6,24)25/h7-13H,1-6H3
InChIKeyOPNKLUKSXOGHNE-UHFFFAOYSA-N
MW415.59 g/mol
LogP3.89
Rot. Bonds5

About CID 66712144

CID 66712144 (PubChem CID 66712144) has the molecular formula C20H25N3O3SSi and a molecular weight of 415.59 g/mol.

Molecular Properties

Compound NameCID 66712144
PubChem CID66712144
Molecular FormulaC20H25N3O3SSi
Molecular Weight415.59 g/mol
Exact Mass415.14
IUPAC Name—
SMILESCC(C)(C)[Si]OC(C)(C)c1cccc(-c2ccc3cnc(S(C)(=O)=O)nn23)c1
InChIInChI=1S/C20H25N3O3SSi/c1-19(2,3)28-26-20(4,5)15-9-7-8-14(12-15)17-11-10-16-13-21-18(22-23(16)17)27(6,24)25/h7-13H,1-6H3
InChIKeyOPNKLUKSXOGHNE-UHFFFAOYSA-N
XLogP3.89
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.59
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze CID 66712144 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 66712144?
The IUPAC name of CID 66712144 (CID 66712144) is not available.
What is the SMILES notation for CID 66712144?
The canonical SMILES for CID 66712144 is CC(C)(C)[Si]OC(C)(C)c1cccc(-c2ccc3cnc(S(C)(=O)=O)nn23)c1.
What is the InChIKey of CID 66712144?
The InChIKey is OPNKLUKSXOGHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3SSi/c1-19(2,3)28-26-20(4,5)15-9-7-8-14(12-15)17-11-10-16-13-21-18(22-23(16)17)27(6,24)25/h7-13H,1-6H3.
What are the key properties of CID 66712144?
CID 66712144 has a molecular weight of 415.59 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66712144 is sourced from PubChem (CID 66712144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).