Basic information
- Standard SMILES
CN1CCN(C)C(c2cccc(Nc3ncc4ccc(-c5cccc(S(=O)(=O)N6CCCC6)c5)n4n3)c2)C1=O- InChIKey
SBZNUFGCXVRTFY-UHFFFAOYSA-N- Molecular formula
- C28H31N7O3S
- Average molar mass
- 545.7 g/mol
Names & identifiers
- Preferred name
- 1,4-Dimethyl-3-(3-{7-[3-(pyrrolidine-1-sulfonyl)-phenyl]-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino}-phenyl)-piperazin-2-one
- IUPAC
- 1,4-dimethyl-3-[3-[[7-(3-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-2-one
Names & synonyms
SCHEMBL521568SBZNUFGCXVRTFY-UHFFFAOYSA-N1,4-Dimethyl-3-(3-{7-[3-(pyrrolidine-1-sulfonyl)-phenyl]-pyrrolo[2,1-f][1, 2,4]triazin-2-ylamino}-phenyl)-piperazin-2-one1,4-Dimethyl-3-(3-{7-[3-(pyrrolidine-1-sulfonyl)-phenyl]-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino}-phenyl)-piperazin-2-one
Database identifiers
- PubChem CID
- 66712367
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 971
Related reactions
2 records
Compound notes
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