N-(2-aminophenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide
Completing data — refresh the page later to see the latest
Basic information
- CAS
866000-94-4- Standard SMILES
COc1cc(CN2CCc3cc(C(=O)Nc4ccccc4N)ccc32)cc(OC)c1OC- InChIKey
HJTMZQPLKYIQSC-UHFFFAOYSA-N- Molecular formula
- C25H27N3O4
- Average molar mass
- 433.5 g/mol
Names & identifiers
- Preferred name
- N-(2-aminophenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide
- IUPAC
- N-(2-aminophenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide
- English name
- 1-Benzyl-2,3-dihydro-1H-indole-5-carboxylic acid
- Molecular formula
- C25H27N3O4
- Molecular weight
- 433.5
Names & synonyms
SCHEMBL210636AKOS MSC-01691-BENZYL-5-INDOLINECARBOXYLIC ACID1-Benzyl-2,3-dihydro-1H-indole-5-carboxylic acid1H-Indole-5-carboxamide, N-(2-aminophenyl)-2,3-dihydro-1-[(3,4,5-trimethoxyphenyl)methyl]-
Database identifiers
- CAS
866000-94-4
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 606
Physicochemical properties
- Boiling point
- 592.2 · 592.2±50.0 °C(Predicted)
- Density
- 1.271 · 1.271±0.06 g/cm3(Predicted)
- pka
- 13.18 · 13.18±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…