Basic information
- CAS
107703-70-8- Standard SMILES
CCCCCCCCCCCCCCOc1ccc(NC(=O)c2cc(Oc3c(CSc4nnc(C)o4)c(C)nn3-c3ccccc3)c3ccccc3c2O)cc1- InChIKey
BJXBGDOWVVHOQF-UHFFFAOYSA-N- Molecular formula
- C45H53N5O5S
- Average molar mass
- 776 g/mol
- Monoisotopic mass
- 775.37674098
Names & identifiers
- Preferred name
- 2-Naphthalenecarboxamide, 1-hydroxy-4-[[3-methyl-4-[[(5-methyl-1,3,4-oxadiazol-2-yl)thio]methyl]-1-phenyl-1H-pyrazol-5-yl]oxy]-N-[4-(tetradecyloxy)phenyl]-
- IUPAC
- 1-hydroxy-4-[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1-phenylpyrazol-5-yl]oxy-N-(4-tetradecoxyphenyl)naphthalene-2-carboxamide
- English name
- 1-Hydroxy-4-[[3-methyl-4-[[(5-methyl-1,3,4-oxadiazol-2-yl)thio]methyl]-1-phenyl-1H-pyrazol-5-yl]oxy]-N-(4-tetradecyloxyphenyl)-2-naphthalenecarboxamide
- Molecular weight
- 0
Names & synonyms
107703-70-82-Naphthalenecarboxamide, 1-hydroxy-4-((3-methyl-4-(((5-methyl-1,3,4-oxadiazol-2-yl)thio)methyl)-1-phenyl-1H-pyrazol-5-yl)oxy)-N-(4-(tetradecyloxy)phenyl)-2-Naphthalenecarboxamide, 1-hydroxy-4-[[3-methyl-4-[[(5-methyl-1,3,4-oxadiazol-2-yl)thio]methyl]-1-phenyl-1H-pyrazol-5-yl]oxy]-N-[4-(tetradecyloxy)phenyl]-RefChem:476399BJXBGDOWVVHOQF-UHFFFAOYSA-N1-hydroxy-4-[5-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-2-phenylpyrazol-3-yl]oxy-N-(4-tetradecoxyphenyl)naphthalene-2-carboxamide1-Hydroxy-4-[[3-methyl-4-[[(5-methyl-1,3,4-oxadiazol-2-yl)thio]methyl]-1-phenyl-1H-pyrazol-5-yl]oxy]-N-(4-tetradecyloxyphenyl)-2-naphthalenecarboxamide
Database identifiers
- CAS
107703-70-8- PubChem CID
- 14344729
- Nikkaji
- J364.792G
Properties
Computed structural properties
- XLogP
- 13.6
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 22
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,110
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 2-Naphthalenecarboxamide, 1-hydroxy-4-[[3-methyl-4-[[(5-methyl-1,3,4-oxadiazol-2-yl)thio]methyl]-1-phenyl-1H-pyrazol-5-yl]oxy]-N-[4-(tetradecyloxy)phenyl]-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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