Basic information
- CAS
86427-35-2- Standard SMILES
COc1ccc(CN2C(=O)C(Cl)C2c2c[nH]c3ccccc23)cc1- InChIKey
KZQORCWBOZGIAZ-UHFFFAOYSA-N- Molecular formula
- C19H17ClN2O2
- Average molar mass
- 340.8 g/mol
- Monoisotopic mass
- 340.0978555
Names & identifiers
- Preferred name
- 2-Azetidinone, 3-chloro-4-(1H-indol-3-yl)-1-((4-methoxyphenyl)methyl)-
- IUPAC
- 3-chloro-4-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]azetidin-2-one
Names & synonyms
BRN 45418103-Chloro-4-(1H-indol-3-yl)-1-((4-methoxyphenyl)methyl)-2-azetidinone86427-35-22-AZETIDINONE, 3-CHLORO-4-(1H-INDOL-3-YL)-1-((4-METHOXYPHENYL)METHYL)-RefChem:256182DTXSID3010068303-chloro-4-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]azetidin-2-one
Database identifiers
- CAS
86427-35-2- PubChem CID
- 55495
- DTXSID
DTXSID301006830
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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