Basic information
- Standard SMILES
CCOC(=O)c1cc2cc(N(Cc3ccccc3)Cc3ccccc3)ccc2s1- InChIKey
XHBSCSIWLIDXBT-UHFFFAOYSA-N- Molecular formula
- C25H23NO2S
- Average molar mass
- 401.5 g/mol
Names & identifiers
- Preferred name
- 5-Dibenzylamino-benzo[b]thiophene-2-carboxylic acid ethyl ester
- IUPAC
- ethyl 5-(dibenzylamino)-1-benzothiophene-2-carboxylate
Names & synonyms
SCHEMBL1888902XHBSCSIWLIDXBT-UHFFFAOYSA-N5-Dibenzylamino-benzo[b]thiophene-2-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 58968978
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 495
Related reactions
1 records
Compound notes
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