N-[[4-(2,4-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-ethylhexanamide
Basic information
- CAS
5891-37-2- Standard SMILES
CCCCC(CC)C(=O)NCc1nnc(SCc2ccccc2C)n1-c1ccc(Cl)cc1Cl- InChIKey
NBFKLGIORSGDDD-UHFFFAOYSA-N- Molecular formula
- C25H30Cl2N4OS
- Average molar mass
- 505.5 g/mol
- Monoisotopic mass
- 504.1517382
Names & identifiers
- Preferred name
- N-[[4-(2,4-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-ethylhexanamide
- IUPAC
- N-[[4-(2,4-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-ethylhexanamide
Names & synonyms
5891-37-2N-[[4-(2,4-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-ethylhexanamideDTXSID80409532N-{[4-(2,4-Dichlorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-2-ethylhexanamide
Database identifiers
- CAS
5891-37-2- PubChem CID
- 5201306
- DTXSID
DTXSID80409532
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 85.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 601
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Compound notes
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