CID 156850795

C24H27BrN4O3Si- — CID 156850795

IUPAC—
SMILESC[Si-](C)(C)CCOCn1nc(-c2cnco2)c2cc(OC3CCc4cc(Br)cnc43)ccc21
InChIInChI=1S/C24H27BrN4O3Si/c1-33(2,3)9-8-30-15-29-20-6-5-18(11-19(20)24(28-29)22-13-26-14-31-22)32-21-7-4-16-10-17(25)12-27-23(16)21/h5-6,10-14,21H,4,7-9,15H2,1-3H3/q-1
InChIKeyOHYRUEBEIOJIFX-UHFFFAOYSA-N
MW527.50 g/mol
LogP6.23
Rot. Bonds8

About CID 156850795

CID 156850795 (PubChem CID 156850795) has the molecular formula C24H27BrN4O3Si- and a molecular weight of 527.50 g/mol.

Molecular Properties

Compound NameCID 156850795
PubChem CID156850795
Molecular FormulaC24H27BrN4O3Si-
Molecular Weight527.50 g/mol
Exact Mass526.10
IUPAC Name—
SMILESC[Si-](C)(C)CCOCn1nc(-c2cnco2)c2cc(OC3CCc4cc(Br)cnc43)ccc21
InChIInChI=1S/C24H27BrN4O3Si/c1-33(2,3)9-8-30-15-29-20-6-5-18(11-19(20)24(28-29)22-13-26-14-31-22)32-21-7-4-16-10-17(25)12-27-23(16)21/h5-6,10-14,21H,4,7-9,15H2,1-3H3/q-1
InChIKeyOHYRUEBEIOJIFX-UHFFFAOYSA-N
XLogP6.23
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.50
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 156850795?
The IUPAC name of CID 156850795 (CID 156850795) is not available.
What is the SMILES notation for CID 156850795?
The canonical SMILES for CID 156850795 is C[Si-](C)(C)CCOCn1nc(-c2cnco2)c2cc(OC3CCc4cc(Br)cnc43)ccc21.
What is the InChIKey of CID 156850795?
The InChIKey is OHYRUEBEIOJIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN4O3Si/c1-33(2,3)9-8-30-15-29-20-6-5-18(11-19(20)24(28-29)22-13-26-14-31-22)32-21-7-4-16-10-17(25)12-27-23(16)21/h5-6,10-14,21H,4,7-9,15H2,1-3H3/q-1.
What are the key properties of CID 156850795?
CID 156850795 has a molecular weight of 527.50 g/mol, XLogP of 6.23, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156850795 is sourced from PubChem (CID 156850795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).