Basic information
- Standard SMILES
CC(C)(C)c1ccc(C(=O)Nc2cc(OCCCON=Cc3cn(Cc4ccccc4)c4ccccc34)ccc2C(=O)O)cc1- InChIKey
LNZAWFCXULPKBC-UHFFFAOYSA-N- Molecular formula
- C37H37N3O5
- Average molar mass
- 603.7 g/mol
- Monoisotopic mass
- 603.27332129
Names & identifiers
- Preferred name
- 4-[3-[(1-Benzylindol-3-yl)methylideneamino]oxypropoxy]-2-[(4-tert-butylbenzoyl)amino]benzoic acid
- IUPAC
- 4-[3-[(1-benzylindol-3-yl)methylideneamino]oxypropoxy]-2-[(4-tert-butylbenzoyl)amino]benzoic acid
Names & synonyms
SCHEMBL4798181
Database identifiers
- PubChem CID
- 85419082
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 968
Related reactions
1 records
Compound notes
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