4H-1,4-Benzoxazine-4-acetamide, 2,3-dihydro-3-oxo-N-(2-thienylmethyl)-
Basic information
- CAS
606118-33-6- Standard SMILES
O=C(CN1C(=O)COc2ccccc21)NCc1cccs1- InChIKey
USWMKWFXMVFVSJ-UHFFFAOYSA-N- Molecular formula
- C15H14N2O3S
- Average molar mass
- 302.4 g/mol
Names & identifiers
- Preferred name
- 4H-1,4-Benzoxazine-4-acetamide, 2,3-dihydro-3-oxo-N-(2-thienylmethyl)-
- IUPAC
- 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
- English name
- 4H-1,4-Benzoxazine-4-acetamide,2,3-dihydro-3-oxo-N-(2-thienylmethyl)-(9CI)
- Molecular formula
- C15H14N2O3S
- Molecular weight
- 302.35
Names & synonyms
AKOS002124762606118-33-6DB-272307EU-00310454H-1,4-BENZOXAZINE-4-ACETAMIDE, 2,3-DIHYDRO-3-OXO-N-(2-THIENYLMETHYL)-4H-1,4-Benzoxazine-4-acetamide,2,3-dihydro-3-oxo-N-(2-thienylmethyl)-(9CI)
Database identifiers
- CAS
606118-33-6
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 404
Physicochemical properties
- Boiling point
- 642.2 · 642.2±55.0 °C(Predicted)
- Density
- 1.343 · 1.343±0.06 g/cm3(Predicted)
- pka
- 13.85 · 13.85±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…