5-[(1RS,2RS)-1-Acetoxy-2-(3,4-dichlorophenyl)-4-(4-acetamido-4-phenylpiperidino)butyl]-1-phenylpyrazole

HCID 18930280
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Basic information

Standard SMILES
CC(=O)NC1(c2ccccc2)CCN(CCC(c2ccc(Cl)c(Cl)c2)C(OC(C)=O)c2ccnn2-c2ccccc2)CC1
InChIKey
OARPMPGFRBDERU-UHFFFAOYSA-N
Molecular formula
C34H36Cl2N4O3
Average molar mass
619.6 g/mol
Monoisotopic mass
618.2164464

Names & identifiers

Preferred name
5-[(1RS,2RS)-1-Acetoxy-2-(3,4-dichlorophenyl)-4-(4-acetamido-4-phenylpiperidino)butyl]-1-phenylpyrazole
IUPAC
[4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)-1-(2-phenylpyrazol-3-yl)butyl] acetate

Names & synonyms

SCHEMBL6942782OARPMPGFRBDERU-UHFFFAOYSA-N5-[(1RS,2RS)-1-Acetoxy-2-(3,4-dichlorophenyl)-4-(4-acetamido-4-phenylpiperidino)butyl]-1-phenylpyrazole

Database identifiers

PubChem CID
18930280

Properties

Computed structural properties

XLogP
6.2
Topological polar surface area
76.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
11
Heavy atoms
43

Related reactions

4 records
New reaction record

Linked notes

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