Basic information
- Standard SMILES
O=C(Cc1ccccc1)NC(=S)Nc1ccc(Oc2nccc3ccn(Cc4ccccc4)c23)c(F)c1- InChIKey
LJTHACQMVBNXIP-UHFFFAOYSA-N- Molecular formula
- C29H23FN4O2S
- Average molar mass
- 510.6 g/mol
Names & identifiers
- Preferred name
- N-(4-(1-Benzyl-1H-pyrrolo[2,3-c]pyridin-7-yloxy)-3-fluorophenylcarbamothioyl)-2-phenylacetamide
- IUPAC
- N-[[4-(1-benzylpyrrolo[2,3-c]pyridin-7-yl)oxy-3-fluorophenyl]carbamothioyl]-2-phenylacetamide
Names & synonyms
SCHEMBL3577378LJTHACQMVBNXIP-UHFFFAOYSA-NN-(4-(1-Benzyl-1H-pyrrolo[2,3-c]pyridin-7-yloxy)-3-fluorophenylcarbamothioyl)-2-phenylacetamide
Database identifiers
- PubChem CID
- 59424684
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 760
Related reactions
4 records
Compound notes
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