Basic information
- Standard SMILES
COc1nc(NCCc2ccc(Cl)cc2Cl)cc(-c2cccc(C3(C(=O)O)CCCC3)c2)n1- InChIKey
RMTQEEYHUNGCDX-UHFFFAOYSA-N- Molecular formula
- C25H25Cl2N3O3
- Average molar mass
- 486.4 g/mol
Names & identifiers
- Preferred name
- 1-(3-{6-[2-(2,4-Dichloro-phenyl)-ethylamino]-2-methoxy-pyrimidin-4-yl}-phenyl)-cyclopentanecarboxylic acid
- IUPAC
- 1-[3-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]phenyl]cyclopentane-1-carboxylic acid
Names & synonyms
CHEMBL1644212SCHEMBL4494478RMTQEEYHUNGCDX-UHFFFAOYSA-NBDBM50417726DB-1472961-(3-{6-[2-(2,4-dichloro-phenyl)-ethylamino]-2-methoxy-pyrimidin-4-yl}-phenyl)-cyclopentanecarboxylic acid1-[3-[6-[[2-(2,4-Dichlorophenyl)ethyl]amino]-2-methoxy-4-pyrimidinyl]phenyl]cyclopentanecarboxylic acid885069-67-0
Database identifiers
- PubChem CID
- 53316575
- ChEMBL
CHEMBL1644212
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 648
Related reactions
3 records
Compound notes
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