acetic acid, methoxy-, 2-(1H-indol-2-ylcarbonyl)-1H-indol-5-yl ester
Basic information
- CAS
405917-67-1- Standard SMILES
COCC(=O)Oc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1- InChIKey
LAVORGSZCUQIGI-UHFFFAOYSA-N- Molecular formula
- C20H16N2O4
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.111007
Names & identifiers
- Preferred name
- acetic acid, methoxy-, 2-(1H-indol-2-ylcarbonyl)-1H-indol-5-yl ester
- IUPAC
- [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] 2-methoxyacetate
Names & synonyms
acetic acid, methoxy-, 2-(1H-indol-2-ylcarbonyl)-1H-indol-5-yl ester405917-67-1CHEMBL7600BDBM6609DTXSID60349381Bis(1H-2-indolyl)methanone deriv. 672-(1H-Indole-2-carbonyl)-1H-indol-5-yl methoxyacetate[2-(1H-2-Indolylcarbonyl)-1H-5-indolyl]methoxyethanoate2-(1H-indol-2-ylcarbonyl)-1H-indol-5-yl 2-methoxyacetateAcetic acid, methoxy-, 2-(1H-indol-2-ylcarbonyl)-1H-indol-5-yl ester (9CI)
Database identifiers
- CAS
405917-67-1- PubChem CID
- 644356
- DTXSID
DTXSID60349381- ChEMBL
CHEMBL7600- Nikkaji
- J1.722.363A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 540
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Compound notes
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