4-({[6-Benzyl-2-(3,5-dichlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl]oxy}methyl)benzoic acid

HCID 69200430
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Basic information

Standard SMILES
O=C(O)c1ccc(COc2nc(-c3cc(Cl)cc(Cl)c3)nc3c2CN(Cc2ccccc2)CC3)cc1
InChIKey
GQTXAUILGYVVKI-UHFFFAOYSA-N
Molecular formula
C28H23Cl2N3O3
Average molar mass
520.4 g/mol
Monoisotopic mass
519.111647

Names & identifiers

Preferred name
4-({[6-Benzyl-2-(3,5-dichlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl]oxy}methyl)benzoic acid
IUPAC
4-[[6-benzyl-2-(3,5-dichlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxymethyl]benzoic acid

Names & synonyms

SCHEMBL4811209GQTXAUILGYVVKI-UHFFFAOYSA-N4-({[6-Benzyl-2-(3,5-dichlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl]oxy}methyl)benzoic acid

Database identifiers

PubChem CID
69200430

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
75.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
36

Related reactions

1 records
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Compound notes

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