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Basic information
- Standard SMILES
C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CC5CCN(C(=O)OC(C)(C)C)CC5)c4)ccc3F)c2)CCN1C- InChIKey
OIWUQEAHOKBPLH-MHZLTWQESA-N- Molecular formula
- C38H49FN4O3
- Average molar mass
- 628.8 g/mol
Names & identifiers
- Preferred name
- 1,1-dimethylethyl 4-{[3-({[(3'-{[(3S)-3,4-dimethyl-1-piperazinyl]methyl}-6-fluoro-3-biphenylyl)methyl]amino}carbonyl)phenyl]methyl)-1-piperidinecarboxylate
- IUPAC
- tert-butyl 4-[[3-[[3-[3-[[(3S)-3,4-dimethylpiperazin-1-yl]methyl]phenyl]-4-fluorophenyl]methylcarbamoyl]phenyl]methyl]piperidine-1-carboxylate
Names & synonyms
1,1-dimethylethyl 4-{[3-({[(3'-{[(3S)-3,4-dimethyl-1-piperazinyl]methyl}-6-fluoro-3-biphenylyl)methyl]amino}carbonyl)phenyl]methyl)-1-piperidinecarboxylate1,1-dimethylethyl 4-{[3-({[(3'-{[(3S)-3,4-dimethyl-1-piperazinyl]methyl}-6-fluoro-3-biphenylyl)methyl]amino}carbonyl)phenyl]methyl}-1-piperidinecarboxylateSCHEMBL1631553OIWUQEAHOKBPLH-MHZLTWQESA-N1-dimethylethyl 4-{[3-({[(3'-{[(3s)-3,4-dimethyl-1-piperazinyl]methyl}-6-fluoro-3-biphenylyl)methyl]amino}carbonyl)phenyl]methyl}-1-piperidinecarboxylate
Database identifiers
- PubChem CID
- 57730433
Properties
Computed structural propertiesFilling in
- XLogP
- 6.4
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 981
Related reactions
3 records
Compound notes
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