Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CC5CCN(C(=O)OC(C)(C)C)CC5)c4)ccc3F)c2)CCN1- InChIKey
CNCPVHCNOHVPGY-SANMLTNESA-N- Molecular formula
- C37H47FN4O3
- Average molar mass
- 614.8 g/mol
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl 4-{[3-({[(6-fluoro-3'-{[(3S)-3-methyl-1-piperazinyl]methyl}-3-biphenylyl)methyl]amino}carbonyl)phenyl]methyl}-1-piperidinecarboxylate
- IUPAC
- tert-butyl 4-[[3-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methylcarbamoyl]phenyl]methyl]piperidine-1-carboxylate
Names & synonyms
1,1-dimethylethyl 4-([3-({[(6-fluoro-3'-{[(3S)-3-methyl-1-piperazinyl]methyl}-3-biphenylyl)methyl]amino)carbonyl)phenyl]methyl}-1-piperidinecarboxylate1,1-Dimethylethyl 4-{[3-({[(6-fluoro-3'-{[(3S)-3-methyl-1-piperazinyl]methyl}-3-biphenylyl)methyl]amino}carbonyl)phenyl]methyl}-1-piperidinecarboxylateSCHEMBL1632338CNCPVHCNOHVPGY-SANMLTNESA-N
Database identifiers
- PubChem CID
- 57730441
Properties
Computed structural propertiesFilling in
- XLogP
- 5.9
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 950
Related reactions
4 records
Compound notes
Loading…