Basic information
- Standard SMILES
COc1nc(NC2c3ccccc3CC2O)cnc1-c1ccc(Cl)cc1Cl- InChIKey
QLESKAJPEVELEK-UHFFFAOYSA-N- Molecular formula
- C20H17Cl2N3O2
- Average molar mass
- 402.3 g/mol
- Monoisotopic mass
- 401.0697822
Names & identifiers
- Preferred name
- 1-[[5-(2,4-dichlorophenyl)-6-methoxypyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
- IUPAC
- 1-[[5-(2,4-dichlorophenyl)-6-methoxypyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
Database identifiers
- PubChem CID
- 22147352
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 500
Related reactions
2 records
Compound notes
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