Basic information
- CAS
484654-72-0- Standard SMILES
Cn1cnnc1SCC(=O)NC1CCCCC1- InChIKey
VDIVTMPJUMDDEC-UHFFFAOYSA-N- Molecular formula
- C11H18N4OS
- Average molar mass
- 254.35 g/mol
- Monoisotopic mass
- 254.12013238
Names & identifiers
- Preferred name
- N-cyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
- IUPAC
- N-cyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Names & synonyms
N-cyclohexyl-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamideN-cyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamideOprea1_325464MLS001004169CHEMBL1364427DTXSID101325173HMS2709P15AKOS001280744484654-72-0SMR000377873Z19814106
Database identifiers
- CAS
484654-72-0- PubChem CID
- 855555
- DTXSID
DTXSID101325173- ChEMBL
CHEMBL1364427
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 85.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 258
Experimental & physicochemical properties
Solubility36.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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