cis-2-(4-{4,5-bis-(4-chloro-phenyl)-1-[4-(2-morpholin-4-yl-2-oxo-ethyl)-piperazine-1-carbonyl]-4,5-dihydro-1H-imidazol-2-yl}-3-ethoxy-phenyl)-N,N-diethyl-isobutyramide
Basic information
- Standard SMILES
CCOc1cc(C(C)(C)C(=O)N(CC)CC)ccc1C1=N[C@@H](c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1- InChIKey
RUJUBOPBABXXIC-QPPIDDCLSA-N- Molecular formula
- C42H52Cl2N6O5
- Average molar mass
- 791.8 g/mol
Names & identifiers
- Preferred name
- cis-2-(4-{4,5-bis-(4-chloro-phenyl)-1-[4-(2-morpholin-4-yl-2-oxo-ethyl)-piperazine-1-carbonyl]-4,5-dihydro-1H-imidazol-2-yl}-3-ethoxy-phenyl)-N,N-diethyl-isobutyramide
- IUPAC
- 2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carbonyl]-4,5-dihydroimidazol-2-yl]-3-ethoxyphenyl]-N,N-diethyl-2-methylpropanamide
Names & synonyms
SCHEMBL1386025RUJUBOPBABXXIC-QPPIDDCLSA-Ncis-2-(4-{4,5-bis-(4-chloro-phenyl)-1-[4-(2-morpholin-4-yl-2-oxo-ethyl)-piperazine-1-carbonyl]-4,5-dihydro-1H-imidazol-2-yl}-3-ethoxy-phenyl)-N,N-diethyl-isobutyramide
Database identifiers
- PubChem CID
- 57732411
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,320
Related reactions
1 records
Compound notes
Loading…