N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Basic information
- CAS
6351-99-1- Standard SMILES
O=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1ccc2c(c1)OCCO2- InChIKey
IQYZDOFQJJWARK-UHFFFAOYSA-N- Molecular formula
- C22H15BrN2O4
- Average molar mass
- 451.3 g/mol
- Monoisotopic mass
- 450.02152
Names & identifiers
- Preferred name
- N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
- IUPAC
- N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Names & synonyms
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide6351-99-1ChemDiv1_007228Oprea1_050660HMS607I12DTXSID60361922HMS3428N09CCG-18421MFCD01783921AKOS001656092SR-01000462502SR-01000462502-1
Database identifiers
- CAS
6351-99-1- PubChem CID
- 1348906
- DTXSID
DTXSID60361922
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 593
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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