Basic information
- CAS
65907-31-5- Standard SMILES
CCCCCOC(=O)N(C)SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2- InChIKey
WWURZRXEORBNQA-UHFFFAOYSA-N- Molecular formula
- C19H28N2O5S
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.17189317
Names & identifiers
- Preferred name
- 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl 2,4-dimethyl-5-oxo-6-oxa-3-thia-2,4-diazaundecanoate
- IUPAC
- pentyl N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-N-methylcarbamate
Names & synonyms
65907-31-5Benzofuran, 2,3-dihydro-2,2-dimethyl-7-(N-(N-methyl-N-pentoxycarbonylaminothio)-N-methylcarbamoyloxy)-DTXSID60216125RefChem:1059361DTXCID601386162,3-Dihydro-2,2-dimethyl-7-benzofuranyl 2,4-dimethyl-5-oxo-6-oxa-3-thia-2,4-diazaundecanoate2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl pentyl sulfanediylbis(methylcarbamate)
Database identifiers
- CAS
65907-31-5- PubChem CID
- 47760
- DTXSID
DTXSID60216125- Nikkaji
- J71.526C
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 93.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 516
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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