Basic information
- Standard SMILES
COC(=O)c1c[nH]c2cc(Cl)c(-c3ccc(OCCN4CCNCC4)cc3)cc12- InChIKey
LXHPCKIUROAFIU-UHFFFAOYSA-N- Molecular formula
- C22H24ClN3O3
- Average molar mass
- 413.9 g/mol
- Monoisotopic mass
- 413.1506193
Names & identifiers
- Preferred name
- methyl 6-chloro-5-{4-[2-(piperazin-1-yl)ethoxy]phenyl}-1H-indole-3-carboxylate
- IUPAC
- methyl 6-chloro-5-[4-(2-piperazin-1-ylethoxy)phenyl]-1H-indole-3-carboxylate
Names & synonyms
SCHEMBL15300713LXHPCKIUROAFIU-UHFFFAOYSA-Nmethyl 6-chloro-5-{4-[2-(piperazin-1-yl)ethoxy]phenyl}-1H-indole-3-carboxylate
Database identifiers
- PubChem CID
- 86698684
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 537
Related reactions
4 records
Compound notes
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