2-(4-Benzhydryl-1-piperazinyl)ethyl ethyl 4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

HCID 19871237
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Basic information

Standard SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1c1ccccc1Cl
InChIKey
LPUVUUQEODOLBS-UHFFFAOYSA-N
Molecular formula
C36H40ClN3O4
Average molar mass
614.2 g/mol

Names & identifiers

Preferred name
2-(4-Benzhydryl-1-piperazinyl)ethyl ethyl 4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC
5-O-[2-(4-benzhydrylpiperazin-1-yl)ethyl] 3-O-ethyl 4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Names & synonyms

SCHEMBL10365985LPUVUUQEODOLBS-UHFFFAOYSA-N2-(4-benzhydryl-1-piperazinyl)ethyl ethyl 4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Database identifiers

PubChem CID
19871237

Properties

Computed structural properties

XLogP
6.6
Topological polar surface area
71.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
12
Heavy atoms
44

Related reactions

1 records
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Compound notes

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