2,2,2-trichloroethyl 4-[10,11-dihydro-5-(2-propenyl)-5H-dibenzo[a,d]cyclohepten-5-yl]-1,2,5,6-tetrahydro-pyridinecarboxylate

HCID 21474130
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Basic information

Standard SMILES
C=CCC1(C2=CC(C(=O)OCC(Cl)(Cl)Cl)NCC2)c2ccccc2CCc2ccccc21
InChIKey
BPAXNORFEKHUHU-UHFFFAOYSA-N
Molecular formula
C26H26Cl3NO2
Average molar mass
490.8 g/mol

Names & identifiers

Preferred name
2,2,2-trichloroethyl 4-[10,11-dihydro-5-(2-propenyl)-5H-dibenzo[a,d]cyclohepten-5-yl]-1,2,5,6-tetrahydro-pyridinecarboxylate
IUPAC
2,2,2-trichloroethyl 4-(2-prop-2-enyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1,2,3,6-tetrahydropyridine-6-carboxylate

Names & synonyms

SCHEMBL7809893BPAXNORFEKHUHU-UHFFFAOYSA-N2,2,2-trichloroethyl 4-[10,11-dihydro-5-(2-propenyl)-5H-dibenzo[a,d]cyclohepten-5-yl]-1,2,5,6-tetrahydro-pyridinecarboxylate

Database identifiers

PubChem CID
21474130

Properties

Computed structural properties

XLogP
6.8
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
32

Related reactions

2 records
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Compound notes

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