{(4S,5R)-4,5-Bis-(4-chloro-phenyl)-2-[2-ethoxy-4-(2-hydroxy-1,1-dimethyl-ethyl)-phenyl]-4,5-dihydro-imidazol-1-yl}-[4-(2-methanesulfonyl-ethyl)-piperazin-1-yl]-methanone hydrochloride

HCID 11629140
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Basic information

Standard SMILES
CCOc1cc(C(C)(C)CO)ccc1C1=N[C@@H](c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1C(=O)N1CCN(CCS(C)(=O)=O)CC1.Cl
InChIKey
KSALVMRHHVZRBW-XJEPUKKESA-N
Molecular formula
C35H43Cl3N4O5S
Average molar mass
738.2 g/mol
Monoisotopic mass
736.201975

Names & identifiers

Preferred name
{(4S,5R)-4,5-Bis-(4-chloro-phenyl)-2-[2-ethoxy-4-(2-hydroxy-1,1-dimethyl-ethyl)-phenyl]-4,5-dihydro-imidazol-1-yl}-[4-(2-methanesulfonyl-ethyl)-piperazin-1-yl]-methanone hydrochloride
IUPAC
[(4S,5R)-4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone;hydrochloride

Names & synonyms

SCHEMBL1384094KSALVMRHHVZRBW-XJEPUKKESA-N{(4S,5R)-4,5-Bis-(4-chloro-phenyl)-2-[2-ethoxy-4-(2-hydroxy-1,1-dimethyl-ethyl)-phenyl]-4,5-dihydro-imidazol-1-yl}-[4-(2-methanesulfonyl-ethyl)-piperazin-1-yl]-methanone hydrochloride

Database identifiers

PubChem CID
11629140

Properties

Computed structural properties

Topological polar surface area
111 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
48

Related reactions

1 records
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Compound notes

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