Basic information
- Standard SMILES
CCCCCCCCNC(=O)N1CCC(Nc2ccc(OCCNC[C@H](O)COc3cccc4[nH]c(=O)[nH]c34)cc2)CC1- InChIKey
UWHNXEHXVXWSPE-SANMLTNESA-N- Molecular formula
- C32H48N6O5
- Average molar mass
- 596.8 g/mol
Names & identifiers
- Preferred name
- 4-(4-(2-[(2S)-2-Hydroxy-3-(2-oxo-2,3-dihydro-1H-benzoimidazol-4-yloxy)-propylamino]-ethoxy}-phenylamino)-piperidine-1-carboxylic acidoctylamide
- IUPAC
- 4-[4-[2-[[(2S)-2-hydroxy-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]propyl]amino]ethoxy]anilino]-N-octylpiperidine-1-carboxamide
Names & synonyms
4-(4-(2-[(2S)-2-Hydroxy-3-(2-oxo-2,3-dihydro-1H-benzoimidazol-4-yloxy)-propylamino]-ethoxy}-phenylamino)-piperidine-1-carboxylic acidoctylamide4-(4-{2-[(2s)-2-hydroxy-3-(2-oxo-2,3-dihydro-1h-benzoimidazol-4-yloxy)-propylamino]-ethoxy}-phenylamino)-piperidine-1-carboxylic acidoctylamideSCHEMBL7094687UWHNXEHXVXWSPE-SANMLTNESA-N
Database identifiers
- PubChem CID
- 10145302
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 18
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 805
Related reactions
2 records
Compound notes
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