Basic information
- CAS
65907-33-7- Standard SMILES
CCCCCCCCOC(=O)N(C)SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2- InChIKey
COTNOASXKYDSLH-UHFFFAOYSA-N- Molecular formula
- C22H34N2O5S
- Average molar mass
- 438.6 g/mol
- Monoisotopic mass
- 438.21884336
Names & identifiers
- Preferred name
- Benzofuran, 2,3-dihydro-2,2-dimethyl-7-(N-(N-methyl-N-octyloxycarbonylaminothio)-N-methylcarbamoyloxy)-
- IUPAC
- octyl N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-N-methylcarbamate
Names & synonyms
65907-33-7Benzofuran, 2,3-dihydro-2,2-dimethyl-7-(N-(N-methyl-N-octyloxycarbonylaminothio)-N-methylcarbamoyloxy)-DTXSID80216127RefChem:326413DTXCID801386182,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl octyl sulfanediylbis(methylcarbamate)
Database identifiers
- CAS
65907-33-7- PubChem CID
- 47762
- DTXSID
DTXSID80216127- Nikkaji
- J71.525E
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 93.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 560
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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