Glycine, N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-N-(phenoxycarbonyl)-, ethyl ester
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Basic information
- CAS
82560-82-5- Standard SMILES
CCOC(=O)CN(SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2)C(=O)Oc1ccccc1- InChIKey
ZDVRLGCPWAVXEY-UHFFFAOYSA-N- Molecular formula
- C23H26N2O7S
- Average molar mass
- 474.5 g/mol
- Monoisotopic mass
- 474.14607235
Names & identifiers
- Preferred name
- Glycine, N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-N-(phenoxycarbonyl)-, ethyl ester
- IUPAC
- ethyl 2-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-phenoxycarbonylamino]acetate
- English name
- ethyl 2-[[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]su lfanyl-phenoxycarbonyl-amino]acetate
- Molecular formula
- C23H26N2O7S
- Molecular weight
- 474.53
Names & synonyms
82560-82-5Glycine, N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-N-(phenoxycarbonyl)-, ethyl esterDTXSID60231878RefChem:346340DTXCID90154369Ethyl N-{[{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}(methyl)amino]sulfanyl}-N-(phenoxycarbonyl)glycinateethyl 2-[[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]su lfanyl-phenoxycarbonyl-amino]acetate
Database identifiers
- CAS
82560-82-5- PubChem CID
- 3068002
- DTXSID
DTXSID60231878
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 698
Physicochemical properties
- Boiling point
- 564.013 · 564.013±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.298 · 1.298±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -2.392 · -2.392±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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