Basic information
- Standard SMILES
NC(=O)c1ccc2[nH]cc(CCCN3CCN(c4ccc5c(c4)OCCO5)CC3)c2c1- InChIKey
WJDOXUZFSUVLON-UHFFFAOYSA-N- Molecular formula
- C24H28N4O3
- Average molar mass
- 420.5 g/mol
- Monoisotopic mass
- 420.21614077
Names & identifiers
- Preferred name
- 6-[4-(3-(5-Carbamoylindol-3-yl)propyl)piperazino]-1,4-benzodioxane
- IUPAC
- 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]propyl]-1H-indole-5-carboxamide
Names & synonyms
SCHEMBL9461824WJDOXUZFSUVLON-UHFFFAOYSA-N6-[4-(3-(5-carbamoylindol-3-yl)propyl)piperazino]-1,4-benzodioxane
Database identifiers
- PubChem CID
- 19797341
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 612
Related reactions
2 records
Compound notes
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