Basic information
- Standard SMILES
COc1cc(C(=O)N2CCC(CCN3CCC(C(=O)NCCN4CCOCC4)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC- InChIKey
VDMSRLSDKANFQZ-UHFFFAOYSA-N- Molecular formula
- C40H50Cl2N4O6
- Average molar mass
- 753.7 g/mol
Names & identifiers
- Preferred name
- 1-[2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-phenyl-piperidine-4-carboxylic acid (2-morpholino-ethyl)-amide
- IUPAC
- 1-[2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)-4-phenylpiperidine-4-carboxamide
Names & synonyms
CHEMBL432183VDMSRLSDKANFQZ-UHFFFAOYSA-NBDBM502902991-[2-[3-(3,4-dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-phenyl-piperidine-4-carboxylic acid (2-morpholino-ethyl)-amide1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-phenyl-piperidine-4-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
Database identifiers
- PubChem CID
- 44319082
- ChEMBL
CHEMBL432183
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,140
Related reactions
2 records
Compound notes
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