Basic information
- Standard SMILES
CCc1sc(C=O)cc1C(Nc1ccc(C(=O)OC)cc1)C1CCCCC1- InChIKey
XMILSPOTCYQXGX-UHFFFAOYSA-N- Molecular formula
- C22H27NO3S
- Average molar mass
- 385.5 g/mol
Names & identifiers
- Preferred name
- Methyl 4-{[cyclohexyl(2-ethyl-5-formylthiophen-3-yl)methyl]amino}benzoate
- IUPAC
- methyl 4-[[cyclohexyl-(2-ethyl-5-formylthiophen-3-yl)methyl]amino]benzoate
Names & synonyms
SCHEMBL3110105XMILSPOTCYQXGX-UHFFFAOYSA-Nmethyl 4-{[cyclohexyl(2-ethyl-5-formylthiophen-3-yl)methyl]amino}benzoate
Database identifiers
- PubChem CID
- 86646397
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 486
Related reactions
7 records
Compound notes
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