Basic information
- CAS
61440-39-9- Standard SMILES
CCOC(=O)c1ccc(NCCCCc2cccs2)cc1- InChIKey
GOOGEPWKPSBRMV-UHFFFAOYSA-N- Molecular formula
- C17H21NO2S
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.12930009
Names & identifiers
- Preferred name
- Ethyl 4-{[4-(thiophen-2-YL)butyl]amino}benzoate
- IUPAC
- ethyl 4-(4-thiophen-2-ylbutylamino)benzoate
Names & synonyms
61440-39-9CHEMBL31304SCHEMBL11388507DTXSID70517539ETHYL 4-{[4-(THIOPHEN-2-YL)BUTYL]AMINO}BENZOATE
Database identifiers
- CAS
61440-39-9- PubChem CID
- 13079679
- DTXSID
DTXSID70517539- ChEMBL
CHEMBL31304
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…