{4-[(4S,5R)-2-(6-tert-Butyl-4-ethoxy-pyridin-3-yl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl]-piperazin-1-yl}-acetic acid tert-butyl ester

HCID 67207089
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOc1cc(C(C)(C)C)ncc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)OC(C)(C)C)CC1
InChIKey
XSZJRGFRCYLOSP-ZESVVUHVSA-N
Molecular formula
C39H49Cl2N5O4
Average molar mass
722.7 g/mol

Names & identifiers

Preferred name
{4-[(4S,5R)-2-(6-tert-Butyl-4-ethoxy-pyridin-3-yl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl]-piperazin-1-yl}-acetic acid tert-butyl ester
IUPAC
tert-butyl 2-[4-[(4S,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]acetate

Names & synonyms

SCHEMBL1905897XSZJRGFRCYLOSP-ZESVVUHVSA-N{4-[(4S,5R)-2-(6-tert-Butyl-4-ethoxy-pyridin-3-yl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl]-piperazin-1-yl}-acetic acid tert-butyl ester

Database identifiers

PubChem CID
67207089

Properties

Computed structural properties

XLogP
7.4
Topological polar surface area
87.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
50

Related reactions

1 records
New reaction record

Linked notes

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