Basic information
- CAS
606120-47-2- Standard SMILES
CCC1Oc2ccc(C)cc2N(CC(=O)N(Cc2cccnc2)Cc2cccc(F)c2)C1=O- InChIKey
LUBOMTRMLWDRSP-UHFFFAOYSA-N- Molecular formula
- C26H26FN3O3
- Average molar mass
- 447.5 g/mol
- Monoisotopic mass
- 447.19581986
Names & identifiers
- Preferred name
- 2-(2-Ethyl-6-methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-(3-fluoro-benzyl)-N-pyridin-3-ylmethyl-acetamide
- IUPAC
- 2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(3-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)acetamide
- English name
- 4H-1,4-Benzoxazine-4-acetamide,2-ethyl-N-[(3-fluorophenyl)methyl]-2,3-dihydro-6-methyl-3-oxo-N-(3-pyridinylmethyl)-(9CI)
- Molecular formula
- C26H26FN3O3
- Molecular weight
- 447.5
Names & synonyms
SMR0001197022-(2-Ethyl-6-methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-(3-fluoro-benzyl)-N-pyridin-3-ylmethyl-acetamide606120-47-2MLS000122289MLS003909942CHEMBL1599642HMS2352O04AKOS000757792AKOS030481536DB-283584SR-01000344397SR-01000344397-1
Show more names
4H-1,4-Benzoxazine-4-acetamide,2-ethyl-N-[(3-fluorophenyl)methyl]-2,3-dihydro-6-methyl-3-oxo-N-(3-pyridinylmethyl)-(9CI)
4H-1,4-BENZOXAZINE-4-ACETAMIDE, 2-ETHYL-N-[(3-FLUOROPHENYL)METHYL]-2,3-DIHYDRO-6-METHYL-3-OXO-N-(3-PYRIDINYLMETHYL)-
Database identifiers
- CAS
606120-47-2- PubChem CID
- 3225056
- ChEMBL
CHEMBL1599642
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 677
Physicochemical properties
- Boiling point
- 698.9 · 698.9±55.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- pka
- 4.75 · 4.75±0.10(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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