CID 89285124

C24H26AsN5O2 — CID 89285124

IUPAC—
SMILESCNC(=O)c1nc(-c2cccc(CNCc3cccc(N4CCOCC4)c3)c2)cnc1[As]
InChIInChI=1S/C24H26AsN5O2/c1-26-24(31)22-23(25)28-16-21(29-22)19-6-2-4-17(12-19)14-27-15-18-5-3-7-20(13-18)30-8-10-32-11-9-30/h2-7,12-13,16,27H,8-11,14-15H2,1H3,(H,26,31)
InChIKeyBGRFTKFPRCVGMN-UHFFFAOYSA-N
MW491.43 g/mol
LogP1.42
Rot. Bonds7

About CID 89285124

CID 89285124 (PubChem CID 89285124) has the molecular formula C24H26AsN5O2 and a molecular weight of 491.43 g/mol.

Molecular Properties

Compound NameCID 89285124
PubChem CID89285124
Molecular FormulaC24H26AsN5O2
Molecular Weight491.43 g/mol
Exact Mass491.13
IUPAC Name—
SMILESCNC(=O)c1nc(-c2cccc(CNCc3cccc(N4CCOCC4)c3)c2)cnc1[As]
InChIInChI=1S/C24H26AsN5O2/c1-26-24(31)22-23(25)28-16-21(29-22)19-6-2-4-17(12-19)14-27-15-18-5-3-7-20(13-18)30-8-10-32-11-9-30/h2-7,12-13,16,27H,8-11,14-15H2,1H3,(H,26,31)
InChIKeyBGRFTKFPRCVGMN-UHFFFAOYSA-N
XLogP1.42
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.43
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 89285124?
The IUPAC name of CID 89285124 (CID 89285124) is not available.
What is the SMILES notation for CID 89285124?
The canonical SMILES for CID 89285124 is CNC(=O)c1nc(-c2cccc(CNCc3cccc(N4CCOCC4)c3)c2)cnc1[As].
What is the InChIKey of CID 89285124?
The InChIKey is BGRFTKFPRCVGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26AsN5O2/c1-26-24(31)22-23(25)28-16-21(29-22)19-6-2-4-17(12-19)14-27-15-18-5-3-7-20(13-18)30-8-10-32-11-9-30/h2-7,12-13,16,27H,8-11,14-15H2,1H3,(H,26,31).
What are the key properties of CID 89285124?
CID 89285124 has a molecular weight of 491.43 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89285124 is sourced from PubChem (CID 89285124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).