Basic information
- Standard SMILES
COC(=O)Cc1c(C(=O)c2cc3c(cn2)CCCC3)[nH]c2cc(Cl)ccc12- InChIKey
MRXRTBPAJHNXRY-UHFFFAOYSA-N- Molecular formula
- C21H19ClN2O3
- Average molar mass
- 382.8 g/mol
Names & identifiers
- Preferred name
- methyl [6-chloro-2-[(5,6,7,8-tetrahydroisoquinolin-3-yl)carbonyl]-1H-indol-3-yl]acetate
- IUPAC
- methyl 2-[6-chloro-2-(5,6,7,8-tetrahydroisoquinoline-3-carbonyl)-1H-indol-3-yl]acetate
Names & synonyms
MRXRTBPAJHNXRY-UHFFFAOYSA-Nmethyl [6-chloro-2-[(5,6,7,8-tetrahydroisoquinolin-3-yl)carbonyl]-1H-indol-3-yl]acetateMethyl [6-chloro-2-[(5,6,7,8-tetrahydroisoquinolin-3yl)carbonyl]-1H-indol-3-yl]acetate
Database identifiers
- PubChem CID
- 9908023
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 572
Related reactions
7 records
Compound notes
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