2-{4-[(4S,5R)-4,5-bis-(4-chloro-phenyl)-2-(3-ethoxy-thiophen-2-yl)-4,5-dihydro-imidazole-1-carbonyl]-piperazin-1-yl}-N-(2-cyano-ethyl)-N-methyl-acetamide

HCID 58923204
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Basic information

Standard SMILES
CCOc1ccsc1C1=N[C@@H](c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)N(C)CCC#N)CC1
InChIKey
BXKALESCEUCENS-URLMMPGGSA-N
Molecular formula
C32H34Cl2N6O3S
Average molar mass
653.6 g/mol

Names & identifiers

Preferred name
2-{4-[(4S,5R)-4,5-bis-(4-chloro-phenyl)-2-(3-ethoxy-thiophen-2-yl)-4,5-dihydro-imidazole-1-carbonyl]-piperazin-1-yl}-N-(2-cyano-ethyl)-N-methyl-acetamide
IUPAC
2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-N-(2-cyanoethyl)-N-methylacetamide

Names & synonyms

SCHEMBL3279713BXKALESCEUCENS-URLMMPGGSA-N2-{4-[(4S,5R)-4,5-bis-(4-chloro-phenyl)-2-(3-ethoxy-thiophen-2-yl)-4,5-dihydro-imidazole-1-carbonyl]-piperazin-1-yl}-N-(2-cyano-ethyl)-N-methyl-acetamide

Database identifiers

PubChem CID
58923204

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
121 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
44

Related reactions

1 records
New reaction record

Linked notes

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