CID 175268854

C21H25N3O2SSi2 — CID 175268854

IUPAC—
SMILESCOc1ccccc1-c1nc2[nH]c(C(=O)NC3CCC([Si]C)([Si]C)CC3)cc2s1
InChIInChI=1S/C21H25N3O2SSi2/c1-26-16-7-5-4-6-14(16)20-24-18-17(27-20)12-15(23-18)19(25)22-13-8-10-21(28-2,29-3)11-9-13/h4-7,12-13,23H,8-11H2,1-3H3,(H,22,25)
InChIKeyLVVAVEGUFCADBM-UHFFFAOYSA-N
MW439.69 g/mol
LogP4.59
Rot. Bonds6

About CID 175268854

CID 175268854 (PubChem CID 175268854) has the molecular formula C21H25N3O2SSi2 and a molecular weight of 439.69 g/mol.

Molecular Properties

Compound NameCID 175268854
PubChem CID175268854
Molecular FormulaC21H25N3O2SSi2
Molecular Weight439.69 g/mol
Exact Mass439.12
IUPAC Name—
SMILESCOc1ccccc1-c1nc2[nH]c(C(=O)NC3CCC([Si]C)([Si]C)CC3)cc2s1
InChIInChI=1S/C21H25N3O2SSi2/c1-26-16-7-5-4-6-14(16)20-24-18-17(27-20)12-15(23-18)19(25)22-13-8-10-21(28-2,29-3)11-9-13/h4-7,12-13,23H,8-11H2,1-3H3,(H,22,25)
InChIKeyLVVAVEGUFCADBM-UHFFFAOYSA-N
XLogP4.59
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.69
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 175268854?
The IUPAC name of CID 175268854 (CID 175268854) is not available.
What is the SMILES notation for CID 175268854?
The canonical SMILES for CID 175268854 is COc1ccccc1-c1nc2[nH]c(C(=O)NC3CCC([Si]C)([Si]C)CC3)cc2s1.
What is the InChIKey of CID 175268854?
The InChIKey is LVVAVEGUFCADBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2SSi2/c1-26-16-7-5-4-6-14(16)20-24-18-17(27-20)12-15(23-18)19(25)22-13-8-10-21(28-2,29-3)11-9-13/h4-7,12-13,23H,8-11H2,1-3H3,(H,22,25).
What are the key properties of CID 175268854?
CID 175268854 has a molecular weight of 439.69 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175268854 is sourced from PubChem (CID 175268854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).