CID 70970987

C17H19N2O2SSi — CID 70970987

IUPAC—
SMILESCCOC(=O)c1cc2ccc([Si](C)C)cc2n1Cc1nccs1
InChIInChI=1S/C17H19N2O2SSi/c1-4-21-17(20)15-9-12-5-6-13(23(2)3)10-14(12)19(15)11-16-18-7-8-22-16/h5-10H,4,11H2,1-3H3
InChIKeyASZBONVOWLWHOJ-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.28
Rot. Bonds5

About CID 70970987

CID 70970987 (PubChem CID 70970987) has the molecular formula C17H19N2O2SSi and a molecular weight of 343.50 g/mol.

Molecular Properties

Compound NameCID 70970987
PubChem CID70970987
Molecular FormulaC17H19N2O2SSi
Molecular Weight343.50 g/mol
Exact Mass343.09
IUPAC Name—
SMILESCCOC(=O)c1cc2ccc([Si](C)C)cc2n1Cc1nccs1
InChIInChI=1S/C17H19N2O2SSi/c1-4-21-17(20)15-9-12-5-6-13(23(2)3)10-14(12)19(15)11-16-18-7-8-22-16/h5-10H,4,11H2,1-3H3
InChIKeyASZBONVOWLWHOJ-UHFFFAOYSA-N
XLogP3.28
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.28
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 70970987?
The IUPAC name of CID 70970987 (CID 70970987) is not available.
What is the SMILES notation for CID 70970987?
The canonical SMILES for CID 70970987 is CCOC(=O)c1cc2ccc([Si](C)C)cc2n1Cc1nccs1.
What is the InChIKey of CID 70970987?
The InChIKey is ASZBONVOWLWHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N2O2SSi/c1-4-21-17(20)15-9-12-5-6-13(23(2)3)10-14(12)19(15)11-16-18-7-8-22-16/h5-10H,4,11H2,1-3H3.
What are the key properties of CID 70970987?
CID 70970987 has a molecular weight of 343.50 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70970987 is sourced from PubChem (CID 70970987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).