Basic information
- CAS
50539-74-7- Standard SMILES
CC1(C)Cc2cccc(OC(=O)NCSc3ccc(Br)cc3)c2O1- InChIKey
FXICJKYHVGBPND-UHFFFAOYSA-N- Molecular formula
- C18H18BrNO3S
- Average molar mass
- 408.3 g/mol
- Monoisotopic mass
- 407.01908
Names & identifiers
- Preferred name
- Carbamic acid, ((p-bromophenyl)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
- IUPAC
- (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-bromophenyl)sulfanylmethyl]carbamate
Names & synonyms
Carbamic acid, ((p-bromophenyl)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester50539-74-7DTXSID201985542,2-Dimethyl-2,3-dihydrobenzofuran-7-yl N-(4-bromophenylthio)-N-methylcarbamateRefChem:331721DTXCID801210452,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl {[(4-bromophenyl)sulfanyl]methyl}carbamate
Database identifiers
- CAS
50539-74-7- PubChem CID
- 39698
- DTXSID
DTXSID20198554- Nikkaji
- J67.534B
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…