3-((2-Aminophenyl)thio)-3-(1,3-benzodioxol-5-yl)-1-phenyl-1-propanone
Basic information
- CAS
60262-56-8- Standard SMILES
Nc1ccccc1SC(CC(=O)c1ccccc1)c1ccc2c(c1)OCO2- InChIKey
GREKXRGVSVVDFY-UHFFFAOYSA-N- Molecular formula
- C22H19NO3S
- Average molar mass
- 377.5 g/mol
- Monoisotopic mass
- 377.10856464
Names & identifiers
- Preferred name
- 3-((2-Aminophenyl)thio)-3-(1,3-benzodioxol-5-yl)-1-phenyl-1-propanone
- IUPAC
- 3-(2-aminophenyl)sulfanyl-3-(1,3-benzodioxol-5-yl)-1-phenylpropan-1-one
Names & synonyms
60262-56-83-((2-Aminophenyl)thio)-3-(1,3-benzodioxol-5-yl)-1-phenyl-1-propanoneNHH20RDS1KUNII-NHH20RDS1KNSC 209908NSC-2099081-PROPANONE, 3-((2-AMINOPHENYL)THIO)-3-(1,3-BENZODIOXOL-5-YL)-1-PHENYL-RefChem:1981543-(2-aminophenyl)sulfanyl-3-(1,3-benzodioxol-5-yl)-1-phenylpropan-1-oneNSC209908HMS561J06Maybridge1_007068
Show more names
Oprea1_182807Oprea1_735605SCHEMBL6202375CHEMBL5483735CCG-44026MFCD00174833AKOS003599335DS-013744
Database identifiers
- CAS
60262-56-8- PubChem CID
- 308394
- ChEMBL
CHEMBL5483735- UNII
- NHH20RDS1K
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 496
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…