Methyl [(2-{[4-(2-tert-Butylphenyl)piperazin-1-yl]carbonyl}-1-methyl-1H-indol-5-yl)oxy]acetate
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Basic information
- Standard SMILES
COC(=O)COc1ccc2c(c1)cc(C(=O)N1CCN(c3ccccc3C(C)(C)C)CC1)n2C- InChIKey
ZFZAKVZSAAVYHJ-UHFFFAOYSA-N- Molecular formula
- C27H33N3O4
- Average molar mass
- 463.6 g/mol
- Monoisotopic mass
- 463.24710654
Names & identifiers
- Preferred name
- Methyl [(2-{[4-(2-tert-Butylphenyl)piperazin-1-yl]carbonyl}-1-methyl-1H-indol-5-yl)oxy]acetate
- IUPAC
- methyl 2-[2-[4-(2-tert-butylphenyl)piperazine-1-carbonyl]-1-methylindol-5-yl]oxyacetate
Names & synonyms
SCHEMBL630813ZFZAKVZSAAVYHJ-UHFFFAOYSA-NMethyl [(2-{[4-(2-tert-Butylphenyl)piperazin-1-yl]carbonyl}-1-methyl-1H-indol-5-yl)oxy]acetate
Database identifiers
- PubChem CID
- 66751007
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 715
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Related reactions
2 records
Compound notes
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