Methyl 4-[bis(6-chloro-1H-indol-3-yl)methyl]benzoate
Basic information
- CAS
593267-67-5- Standard SMILES
COC(=O)c1ccc(C(c2c[nH]c3cc(Cl)ccc23)c2c[nH]c3cc(Cl)ccc23)cc1- InChIKey
WTVOZNRSYVBHKN-UHFFFAOYSA-N- Molecular formula
- C25H18Cl2N2O2
- Average molar mass
- 449.3 g/mol
- Monoisotopic mass
- 448.0745332
Names & identifiers
- Preferred name
- Methyl 4-[bis(6-chloro-1H-indol-3-yl)methyl]benzoate
- IUPAC
- methyl 4-[bis(6-chloro-1H-indol-3-yl)methyl]benzoate
Names & synonyms
Methyl 4-[bis(6-chloro-1H-indol-3-yl)methyl]benzoate593267-67-5DTXSID70787174
Database identifiers
- CAS
593267-67-5- PubChem CID
- 71363660
- DTXSID
DTXSID70787174- Nikkaji
- J1.906.143D
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 605
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Compound notes
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