alpha-[1-[2-(4-Methoxyphenyl)ethyl]-4-piperidinyl]-alpha-(benzo[b]thiophene-2-yl)-2-benzo[b]thiophenemethanol

HCID 18930359

Notes Reactions

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Basic information

Standard SMILES: COc1ccc(CCN2CCC(C(O)(c3cc4ccccc4s3)c3cc4ccccc4s3)CC2)cc1
InChIKey: ZTMSPTCHCCJVDT-UHFFFAOYSA-N
Molecular formula: C31H31NO2S2
Average molar mass: 513.7 g/mol

Names & identifiers

Preferred name: alpha-[1-[2-(4-Methoxyphenyl)ethyl]-4-piperidinyl]-alpha-(benzo[b]thiophene-2-yl)-2-benzo[b]thiophenemethanol
IUPAC: bis(1-benzothiophen-2-yl)-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol

Names & synonyms

SCHEMBL7840629ZTMSPTCHCCJVDT-UHFFFAOYSA-Nalpha- [1- [2- (4-Methoxyphenyl)ethyl]-4-piperidinyl]-alpha-(benzo[b]thiophene-2-yl)-2-benzo[b]thiophenemethanolalpha-[1-[2-(4-Methoxyphenyl)ethyl]-4-piperidinyl]-alpha-(benzo[b]thiophene-2-yl)-2-benzo[b]thiophenemethanol

Database identifiers

PubChem CID: 18930359

Properties

Computed structural properties

XLogP: 7.4
Topological polar surface area: 89.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 36
Formal charge: 0
Complexity: 673

Related reactions

3 records

New reaction record

HRID 266104As productuspto-grants-1997_07

HRID 1450442As productuspto-grants-1997_02

HRID 1736451As productuspto-grants-1996_07

Compound notes

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