N-benzyl-2-[[4-(4-chlorophenyl)-5-[1-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylacetamide
Basic information
- CAS
5521-33-5- Standard SMILES
CC(c1nnc(SCC(=O)N(Cc2ccccc2)C(C)C)n1-c1ccc(Cl)cc1)N(C)C- InChIKey
ROWAYIKBTWUJFN-UHFFFAOYSA-N- Molecular formula
- C24H30ClN5OS
- Average molar mass
- 472 g/mol
- Monoisotopic mass
- 471.1859595
Names & identifiers
- Preferred name
- N-benzyl-2-[[4-(4-chlorophenyl)-5-[1-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylacetamide
- IUPAC
- N-benzyl-2-[[4-(4-chlorophenyl)-5-[1-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylacetamide
Names & synonyms
5521-33-5N-benzyl-2-[[4-(4-chlorophenyl)-5-[1-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylacetamideDTXSID60410186AKOS033545906T5243960Z16909707N-Benzyl-2-({4-(4-chlorophenyl)-5-[1-(dimethylamino)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(propan-2-yl)acetamide
Database identifiers
- CAS
5521-33-5- PubChem CID
- 5210296
- DTXSID
DTXSID60410186
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 79.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 581
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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