CID 174093338

C24H36BN2S — CID 174093338

IUPAC—
SMILES[B](c1nc2cnc(C3CCCCCCCCC3)cc2s1)C1CCCCCCC1
InChIInChI=1S/C24H36BN2S/c1-2-5-9-13-19(14-10-6-3-1)21-17-23-22(18-26-21)27-24(28-23)25-20-15-11-7-4-8-12-16-20/h17-20H,1-16H2
InChIKeyWCKQLRBDKHPANP-UHFFFAOYSA-N
MW395.45 g/mol
LogP7.16
Rot. Bonds3

About CID 174093338

CID 174093338 (PubChem CID 174093338) has the molecular formula C24H36BN2S and a molecular weight of 395.45 g/mol.

Molecular Properties

Compound NameCID 174093338
PubChem CID174093338
Molecular FormulaC24H36BN2S
Molecular Weight395.45 g/mol
Exact Mass395.27
IUPAC Name—
SMILES[B](c1nc2cnc(C3CCCCCCCCC3)cc2s1)C1CCCCCCC1
InChIInChI=1S/C24H36BN2S/c1-2-5-9-13-19(14-10-6-3-1)21-17-23-22(18-26-21)27-24(28-23)25-20-15-11-7-4-8-12-16-20/h17-20H,1-16H2
InChIKeyWCKQLRBDKHPANP-UHFFFAOYSA-N
XLogP7.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.45
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 174093335
CID 174093335
4,6-dicyclopentylpyrimidine
CID 71817735
5-chloro-2-cyclohexyl-4-iodopyridine
CID 123984444
2-cyclodecyl-5-cyclooctylthieno[2,3-d][1,3]thiazole
CID 166923022
CID 174093339
CID 174093339
CID 174093562
CID 174093562
2,6-di(cyclooctyl)pyrido[3,2-d]pyrimidine
CID 170009095
5-tert-butyl-2-cyclohexylpyridine
CID 58094026
2-cyclohexyl-5-methylpyridine
CID 83382376
3-cyclohexyl-5-methyl-1H-pyrazole;ethane
CID 144662747
4-chloro-2-cycloheptyl-6-cyclopentylpyrimidine
CID 113390255
(2-cyclopentyl-5-ethoxy-4-pyridinyl)methanamine
CID 132588869

Frequently Asked Questions

What is the IUPAC name of CID 174093338?
The IUPAC name of CID 174093338 (CID 174093338) is not available.
What is the SMILES notation for CID 174093338?
The canonical SMILES for CID 174093338 is [B](c1nc2cnc(C3CCCCCCCCC3)cc2s1)C1CCCCCCC1.
What is the InChIKey of CID 174093338?
The InChIKey is WCKQLRBDKHPANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36BN2S/c1-2-5-9-13-19(14-10-6-3-1)21-17-23-22(18-26-21)27-24(28-23)25-20-15-11-7-4-8-12-16-20/h17-20H,1-16H2.
What are the key properties of CID 174093338?
CID 174093338 has a molecular weight of 395.45 g/mol, XLogP of 7.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174093338 is sourced from PubChem (CID 174093338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).