4-Chloro-3-{6-chloro-3-[4-(2-pyrrolidin-1-yl-ethoxy)-phenylamino]-benzo[1,2,4]triazin-7-yl}-phenol
Basic information
- Standard SMILES
Oc1ccc(Cl)c(-c2cc3nnc(Nc4ccc(OCCN5CCCC5)cc4)nc3cc2Cl)c1- InChIKey
OEBNJHICOROOFD-UHFFFAOYSA-N- Molecular formula
- C25H23Cl2N5O2
- Average molar mass
- 496.4 g/mol
- Monoisotopic mass
- 495.1228804
Names & identifiers
- Preferred name
- 4-Chloro-3-{6-chloro-3-[4-(2-pyrrolidin-1-yl-ethoxy)-phenylamino]-benzo[1,2,4]triazin-7-yl}-phenol
- IUPAC
- 4-chloro-3-[6-chloro-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol
Names & synonyms
SCHEMBL4274284CHEMBL3651262BDBM97942OEBNJHICOROOFD-UHFFFAOYSA-NUS8481536, 5144-chloro-3-{6-chloro-3-[4-(2-pyrrolidin-1-yl-ethoxy)-phenylamino]-benzo[1,2,4]triazin-7-yl}-phenol
Database identifiers
- PubChem CID
- 11620222
- ChEMBL
CHEMBL3651262
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 634
Related reactions
2 records
Compound notes
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