CID 66712032

C20H26N3OSSi — CID 66712032

IUPAC—
SMILESCSc1ncc2ccc(-c3cccc(C(O[Si](C)C)C(C)(C)C)c3)n2n1
InChIInChI=1S/C20H26N3OSSi/c1-20(2,3)18(24-26(5)6)15-9-7-8-14(12-15)17-11-10-16-13-21-19(25-4)22-23(16)17/h7-13,18H,1-6H3
InChIKeyDPXWQOHINNEECP-UHFFFAOYSA-N
MW384.60 g/mol
LogP5.47
Rot. Bonds5

About CID 66712032

CID 66712032 (PubChem CID 66712032) has the molecular formula C20H26N3OSSi and a molecular weight of 384.60 g/mol.

Molecular Properties

Compound NameCID 66712032
PubChem CID66712032
Molecular FormulaC20H26N3OSSi
Molecular Weight384.60 g/mol
Exact Mass384.16
IUPAC Name—
SMILESCSc1ncc2ccc(-c3cccc(C(O[Si](C)C)C(C)(C)C)c3)n2n1
InChIInChI=1S/C20H26N3OSSi/c1-20(2,3)18(24-26(5)6)15-9-7-8-14(12-15)17-11-10-16-13-21-19(25-4)22-23(16)17/h7-13,18H,1-6H3
InChIKeyDPXWQOHINNEECP-UHFFFAOYSA-N
XLogP5.47
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.60
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 66712032?
The IUPAC name of CID 66712032 (CID 66712032) is not available.
What is the SMILES notation for CID 66712032?
The canonical SMILES for CID 66712032 is CSc1ncc2ccc(-c3cccc(C(O[Si](C)C)C(C)(C)C)c3)n2n1.
What is the InChIKey of CID 66712032?
The InChIKey is DPXWQOHINNEECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N3OSSi/c1-20(2,3)18(24-26(5)6)15-9-7-8-14(12-15)17-11-10-16-13-21-19(25-4)22-23(16)17/h7-13,18H,1-6H3.
What are the key properties of CID 66712032?
CID 66712032 has a molecular weight of 384.60 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66712032 is sourced from PubChem (CID 66712032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).