Basic information
- CAS
82560-30-3- Standard SMILES
CCCCN(CC(=O)OCC)SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2- InChIKey
QWRVJWCQFMKOOV-UHFFFAOYSA-N- Molecular formula
- C20H30N2O5S
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.18754306
Names & identifiers
- Preferred name
- Glycine, N-butyl-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester
- IUPAC
- ethyl 2-[butyl-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanylamino]acetate
Names & synonyms
82560-30-3Glycine, N-butyl-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl esterRefChem:346557SCHEMBL11194986QWRVJWCQFMKOOV-UHFFFAOYSA-NDTXSID5010027772,3-dihydro-2,2-dimethylbenzofuran-7-yl N-(N-butyl-N-ethoxycarbonylmethylaminosulfenyl)-N-methyl-carbamateEthyl N-butyl-N-{[{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}(methyl)amino]sulfanyl}glycinate
Database identifiers
- CAS
82560-30-3- PubChem CID
- 3067959
- DTXSID
DTXSID501002777
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 93.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 531
Related reactions
2 records
Compound notes
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