Basic information
- Standard SMILES
C#CC1(C)OC(=O)Nc2ccc(-c3cccc(Cl)c3)cc21- InChIKey
OVZBDRQFIYMAJF-UHFFFAOYSA-N- Molecular formula
- C17H12ClNO2
- Average molar mass
- 297.7 g/mol
Names & identifiers
- Preferred name
- 6-(3-Chlorophenyl)-4-ethynyl-4-methyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one
- IUPAC
- 6-(3-chlorophenyl)-4-ethynyl-4-methyl-1H-3,1-benzoxazin-2-one
Names & synonyms
SCHEMBL4167679OVZBDRQFIYMAJF-UHFFFAOYSA-N6(3-Chlorophenyl)-4-ethynyl-4-methyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one6-(3-Chlorophenyl)-4-ethynyl-4-methyl-1,4-dihydro-benzo [d] [1,3]oxazin-2-one6-(3-Chlorophenyl)-4-ethynyl-4-methyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one6-(3-Chlorophenyl)-4-ethynyl-4-methyl-1,4-dihydro-benzo[d][1.3]oxazin-2-one
Database identifiers
- PubChem CID
- 9879299
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 471
Related reactions
6 records
Compound notes
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