Methyl 4-{[(5-ethoxy-5-oxopentyl)(2-{[5-(4-phenylpiperazino)-pentyl]oxy}phenethyl)amino]methyl}benzoate

HCID 22015022
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Basic information

Standard SMILES
CCOC(=O)CCCCN(CCc1ccccc1OCCCCCN1CCN(c2ccccc2)CC1)Cc1ccc(C(=O)OC)cc1
InChIKey
ZMBNIRWWOIKJIY-UHFFFAOYSA-N
Molecular formula
C39H53N3O5
Average molar mass
643.9 g/mol

Names & identifiers

Preferred name
Methyl 4-{[(5-ethoxy-5-oxopentyl)(2-{[5-(4-phenylpiperazino)-pentyl]oxy}phenethyl)amino]methyl}benzoate
IUPAC
methyl 4-[[(5-ethoxy-5-oxopentyl)-[2-[2-[5-(4-phenylpiperazin-1-yl)pentoxy]phenyl]ethyl]amino]methyl]benzoate

Names & synonyms

SCHEMBL2999044ZMBNIRWWOIKJIY-UHFFFAOYSA-NMethyl 4-{[(5-ethoxy-5-oxopentyl)(2-{[5-(4-phenylpiperazino)-pentyl]oxy}phenethyl)amino]methyl}benzoate

Database identifiers

PubChem CID
22015022

Properties

Computed structural properties

XLogP
7.1
Topological polar surface area
71.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
22
Heavy atoms
47

Related reactions

4 records
New reaction record

Compound notes

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