Basic information
- CAS
735295-49-5- Standard SMILES
CN(C(=O)CSc1nnc(Cc2ccccc2F)n1N)C1CCCCC1- InChIKey
DSJLLKPXBPJNDF-UHFFFAOYSA-N- Molecular formula
- C18H24FN5OS
- Average molar mass
- 377.5 g/mol
- Monoisotopic mass
- 377.16855974
Names & identifiers
- Preferred name
- 2-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-methylacetamide
- IUPAC
- 2-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-methylacetamide
Names & synonyms
2-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-methylacetamideMLS002249327CHEMBL1730179DTXSID401328021HMS3095E03AKOS033936581735295-49-5SMR001316763SR-01000049550SR-01000049550-1Z252327382-({4-amino-5-[(2-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-cyclohexyl-N-methylacetamide
Database identifiers
- CAS
735295-49-5- PubChem CID
- 2394983
- DTXSID
DTXSID401328021- ChEMBL
CHEMBL1730179
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 465
Experimental & physicochemical properties
Solubility49.7 [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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