[4-Acetylamino-3-(4-chlorophenylsulfanyl)-2-methyl-4H-indol-1-yl]acetic acid
Basic information
- Standard SMILES
CC(=O)NC1C=CC=C2C1=C(Sc1ccc(Cl)cc1)C(C)N2CC(=O)O- InChIKey
KJADGTNKYVBZKV-UHFFFAOYSA-N- Molecular formula
- C19H19ClN2O3S
- Average molar mass
- 390.9 g/mol
- Monoisotopic mass
- 390.0804913
Names & identifiers
- Preferred name
- [4-Acetylamino-3-(4-chlorophenylsulfanyl)-2-methyl-4H-indol-1-yl]acetic acid
- IUPAC
- 2-[4-acetamido-3-(4-chlorophenyl)sulfanyl-2-methyl-2,4-dihydroindol-1-yl]acetic acid
Names & synonyms
SCHEMBL1193859KJADGTNKYVBZKV-UHFFFAOYSA-N[4-Acetylamino-3-(4-chlorophenylsulfanyl)-2-methyl-4H-indol-1-yl]acetic acid
Database identifiers
- PubChem CID
- 66937643
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 680
Related reactions
1 records
Compound notes
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