Basic information
- Standard SMILES
Nc1cc(Oc2ccc(-c3nnc(Nc4cccc(Cl)c4)o3)cc2)nc(N)n1- InChIKey
VEUXPKVMHIPHAI-UHFFFAOYSA-N- Molecular formula
- C18H14ClN7O2
- Average molar mass
- 395.8 g/mol
Names & identifiers
- Preferred name
- 6-(4-{5-[(3-Chlorophenyl)amino]-1,3,4-oxadiazol-2-yl}phenoxy) pyrimidine-2,4-diamine
- IUPAC
- 6-[4-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine
Names & synonyms
SCHEMBL3531460VEUXPKVMHIPHAI-UHFFFAOYSA-N6-(4-{5-[(3-chlorophenyl)amino]-1,3,4-oxadiazol-2-yl}phenoxy) pyrimidine-2,4-diamine6-(4-{5-[(3-chlorophenyl)amino]-1,3,4-oxadiazol-2-yl}phenoxy)pyrimidine-2,4-diamine
Database identifiers
- PubChem CID
- 11610937
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 497
Related reactions
4 records
Compound notes
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