CID 67917543

C24H35NO3PSSi — CID 67917543

IUPAC—
SMILESC[Si](C)OC[C@@]1(C(C)(C)C)C[C@H](P(c2ccccc2)c2ccccc2)CN1S(C)(=O)=O
InChIInChI=1S/C24H35NO3PSSi/c1-23(2,3)24(19-28-31(5)6)17-22(18-25(24)30(4,26)27)29(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,22H,17-19H2,1-6H3/t22-,24+/m0/s1
InChIKeyJQDXEEJSNWRDGI-LADGPHEKSA-N
MW476.68 g/mol
LogP4.21
Rot. Bonds7

About CID 67917543

CID 67917543 (PubChem CID 67917543) has the molecular formula C24H35NO3PSSi and a molecular weight of 476.68 g/mol.

Molecular Properties

Compound NameCID 67917543
PubChem CID67917543
Molecular FormulaC24H35NO3PSSi
Molecular Weight476.68 g/mol
Exact Mass476.18
IUPAC Name—
SMILESC[Si](C)OC[C@@]1(C(C)(C)C)C[C@H](P(c2ccccc2)c2ccccc2)CN1S(C)(=O)=O
InChIInChI=1S/C24H35NO3PSSi/c1-23(2,3)24(19-28-31(5)6)17-22(18-25(24)30(4,26)27)29(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,22H,17-19H2,1-6H3/t22-,24+/m0/s1
InChIKeyJQDXEEJSNWRDGI-LADGPHEKSA-N
XLogP4.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.68
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 67917543?
The IUPAC name of CID 67917543 (CID 67917543) is not available.
What is the SMILES notation for CID 67917543?
The canonical SMILES for CID 67917543 is C[Si](C)OC[C@@]1(C(C)(C)C)C[C@H](P(c2ccccc2)c2ccccc2)CN1S(C)(=O)=O.
What is the InChIKey of CID 67917543?
The InChIKey is JQDXEEJSNWRDGI-LADGPHEKSA-N. The full InChI is InChI=1S/C24H35NO3PSSi/c1-23(2,3)24(19-28-31(5)6)17-22(18-25(24)30(4,26)27)29(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,22H,17-19H2,1-6H3/t22-,24+/m0/s1.
What are the key properties of CID 67917543?
CID 67917543 has a molecular weight of 476.68 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67917543 is sourced from PubChem (CID 67917543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).