Basic information
- Standard SMILES
CCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(Nc3ccc(CCNC[C@H](O)COc4ccc(F)cc4)cc3)CC2)cc1- InChIKey
PWIVUXGERSJWQV-YTTGMZPUSA-N- Molecular formula
- C35H48FN5O5S
- Average molar mass
- 669.9 g/mol
Names & identifiers
- Preferred name
- 1-[4-[4-(4-{2-[(2S)-3-(4-Fluoro-phenoxy)-2-hydroxy-propylamino]-ethyl}-phenylamino)-piperidine-1-sulfonyl]-phenyl}-3-hexyl-urea
- IUPAC
- 1-[4-[4-[4-[2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]anilino]piperidin-1-yl]sulfonylphenyl]-3-hexylurea
Names & synonyms
1-[4-[4-(4-{2-[(2S)-3-(4-Fluoro-phenoxy)-2-hydroxy-propylamino]-ethyl}-phenylamino)-piperidine-1-sulfonyl]-phenyl}-3-hexyl-urea1-{4-[4-(4-{2-[(2S)-3-(4-Fluoro-phenoxy)-2-hydroxy-propylamino]-ethyl}-phenylamino)-piperidine-1-sulfonyl]-phenyl}-3-hexyl-ureaSCHEMBL7094069PWIVUXGERSJWQV-YTTGMZPUSA-N
Database identifiers
- PubChem CID
- 69986647
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 18
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 971
Related reactions
1 records
Compound notes
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