Basic information
- Standard SMILES
CCCCCCCCOC(=O)c1ccc(NN2CN(Nc3ccc(C(=O)OCCCCCCCC)cc3)CN(Nc3ccc(C(=O)OCCCCCCCC)cc3)C2)cc1- InChIKey
NFZTTWZIUVMZPU-UHFFFAOYSA-N- Molecular formula
- C48H72N6O6
- Average molar mass
- 829.1 g/mol
Names & identifiers
- Preferred name
- 1,3,5-Tris-(p-(oct-1-yloxycarbonyl)-anilino)-s-triazine
- IUPAC
- octyl 4-[[3,5-bis(4-octoxycarbonylanilino)-1,3,5-triazinan-1-yl]amino]benzoate
Names & synonyms
SCHEMBL10669998NFZTTWZIUVMZPU-UHFFFAOYSA-N1,3,5-Tris-(p-(oct-1-yloxycarbonyl)-anilino)-s-triazine
Database identifiers
- PubChem CID
- 20152733
Properties
Computed structural properties
- XLogP
- 15.8
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 33
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 990
Related reactions
2 records
Compound notes
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