Basic information
- CAS
82560-47-2- Standard SMILES
CCOC(=O)CN(SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2)C(C)CC- InChIKey
SRPJCMUOPPCLMO-UHFFFAOYSA-N- Molecular formula
- C20H30N2O5S
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.18754324
Names & identifiers
- Preferred name
- N-(((((2,3-Dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-N-(1-methylpropyl)glycine ethyl ester
- IUPAC
- ethyl 2-[butan-2-yl-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanylamino]acetate
- English name
- Glycine, N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)m ethylamino)thio)-N-(1-methylpropyl)-, ethyl ester
- Molecular formula
- C20H30N2O5S
- Molecular weight
- 410.53
Names & synonyms
82560-47-2RefChem:1090610N-(((((2,3-Dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-N-(1-methylpropyl)glycine ethyl esterethyl 2-[butan-2-yl-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanylamino]acetateGlycine, N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-N-(1-methylpropyl)-, ethyl esterDTXSID901002781Ethyl N-(butan-2-yl)-N-{[{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}(methyl)amino]sulfanyl}glycinateEthyl N-butan-2-yl-N-{[{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}(methyl)amino]sulfanyl}glycinateGlycine, N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)m ethylamino)thio)-N-(1-methylpropyl)-, ethyl ester
Database identifiers
- CAS
82560-47-2- PubChem CID
- 3067973
- DTXSID
DTXSID901002781
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 93.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 545
Physicochemical properties
- Boiling point
- 490.3 · 490.3±55.0 °C(Predicted)
- Density
- 1.172 · 1.172±0.06 g/cm3(Predicted)
- pka
- -0.06 · -0.06±0.70(Predicted)
Chemistry & industry
Suppliers1 total
江苏洪珉药业有限公司18221292452 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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