3,4-dichloro-N-[2-methyl-1-[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propyl]benzamide
Basic information
- CAS
5359-48-8- Standard SMILES
Cc1ccc(CSc2nnc(C(NC(=O)c3ccc(Cl)c(Cl)c3)C(C)C)n2C)cc1- InChIKey
GEXQYIAIPFTBLP-UHFFFAOYSA-N- Molecular formula
- C22H24Cl2N4OS
- Average molar mass
- 463.4 g/mol
- Monoisotopic mass
- 462.104788
Names & identifiers
- Preferred name
- 3,4-dichloro-N-[2-methyl-1-[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propyl]benzamide
- IUPAC
- 3,4-dichloro-N-[2-methyl-1-[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propyl]benzamide
Names & synonyms
3,4-dichloro-N-[2-methyl-1-[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propyl]benzamideCID 5223428DTXSID404112323,4-Dichloro-N-[2-methyl-1-(4-methyl-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)propyl]benzamide
Database identifiers
- CAS
5359-48-8- PubChem CID
- 5223428
- DTXSID
DTXSID40411232
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 85.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 561
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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