Methyl 3-{4-[(4-{[(4-phenyl-1,3-thiazol-2-yl)(2-pyridin-2-ylethyl)amino]methyl}benzyl)oxy]phenyl}propanoate

HCID 23143288
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Basic information

Standard SMILES
COC(=O)CCc1ccc(OCc2ccc(CN(CCc3ccccn3)c3nc(-c4ccccc4)cs3)cc2)cc1
InChIKey
XCTMCDHACGIWDP-UHFFFAOYSA-N
Molecular formula
C34H33N3O3S
Average molar mass
563.7 g/mol

Names & identifiers

Preferred name
Methyl 3-{4-[(4-{[(4-phenyl-1,3-thiazol-2-yl)(2-pyridin-2-ylethyl)amino]methyl}benzyl)oxy]phenyl}propanoate
IUPAC
methyl 3-[4-[[4-[[(4-phenyl-1,3-thiazol-2-yl)-(2-pyridin-2-ylethyl)amino]methyl]phenyl]methoxy]phenyl]propanoate

Names & synonyms

SCHEMBL3913216XCTMCDHACGIWDP-UHFFFAOYSA-Nmethyl 3-{4-[(4-{[(4-phenyl-1,3-thiazol-2-yl)(2-pyridin-2-ylethyl)amino]methyl}benzyl)oxy]phenyl}propanoate

Database identifiers

PubChem CID
23143288

Properties

Computed structural properties

XLogP
7
Topological polar surface area
92.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
14
Heavy atoms
41

Related reactions

2 records
New reaction record

Linked notes

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