Basic information
- Standard SMILES
CCc1cccc(CNCC(O)C(Cc2cc(F)cc(F)c2)NC(=O)N2CCC(CS(C)(=O)=O)CC2)c1- InChIKey
CBWSEPUWQVTANS-UHFFFAOYSA-N- Molecular formula
- C27H37F2N3O4S
- Average molar mass
- 537.7 g/mol
Names & identifiers
- Preferred name
- N-[1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-4-(methylsulfonylmethyl)piperidine-1-carboxamide
- IUPAC
- N-[1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-4-(methylsulfonylmethyl)piperidine-1-carboxamide
Database identifiers
- PubChem CID
- 21086883
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 794
Related reactions
1 records
Compound notes
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