Basic information
- Standard SMILES
COc1ccc(-c2cc3ccccc3[nH]2)cc1NC(=S)Nc1ccc(CC(=O)O)cc1- InChIKey
ZTDXVMAPIFXASQ-UHFFFAOYSA-N- Molecular formula
- C24H21N3O3S
- Average molar mass
- 431.5 g/mol
- Monoisotopic mass
- 431.13036271
Names & identifiers
- Preferred name
- 2-[4-[[5-(1H-indol-2-yl)-2-methoxyphenyl]carbamothioylamino]phenyl]acetic acid
- IUPAC
- 2-[4-[[5-(1H-indol-2-yl)-2-methoxyphenyl]carbamothioylamino]phenyl]acetic acid
Names & synonyms
SCHEMBL6505453
Database identifiers
- PubChem CID
- 10296407
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 625
Related reactions
1 records
Compound notes
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