Basic information
- Standard SMILES
CS(=O)(=O)c1cccc(-c2ccc3cnc(Nc4cccc(N5CCOCC5)c4)nn23)c1- InChIKey
ULBUTRQAVLNIBS-UHFFFAOYSA-N- Molecular formula
- C23H23N5O3S
- Average molar mass
- 449.5 g/mol
Names & identifiers
- Preferred name
- [7-(3-Methanesulfonyl-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(3-morpholin-4-yl-phenyl)-amine
- IUPAC
- 7-(3-methylsulfonylphenyl)-N-(3-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
Names & synonyms
SCHEMBL520422ULBUTRQAVLNIBS-UHFFFAOYSA-N[7-(3-Methanesulfonyl-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(3-morpholin-4-yl-phenyl)-amine
Database identifiers
- PubChem CID
- 66711532
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 97.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 726
Related reactions
2 records
Compound notes
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