[(2,3-Dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl 5-bromofuran-2-carboxylate
Basic information
- CAS
485758-84-7- Standard SMILES
O=C(COC(=O)c1ccc(Br)o1)Nc1ccc2c(c1)OCCO2- InChIKey
YYONTRLSIQMYGE-UHFFFAOYSA-N- Molecular formula
- C15H12BrNO6
- Average molar mass
- 382.16 g/mol
- Monoisotopic mass
- 380.9848
Names & identifiers
- Preferred name
- [(2,3-Dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl 5-bromofuran-2-carboxylate
- IUPAC
- [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate
Names & synonyms
485758-84-7[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl 5-bromofuran-2-carboxylate2-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)amino)-2-oxoethyl 5-bromofuran-2-carboxylate[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 5-bromofuran-2-carboxylatestarbld0003405MLS002252831CHEMBL1706742DTXSID001320287HMS3046B05STL194964AKOS002471200SMR001315166
Show more names
Z18367969F6609-37942-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl 5-bromofuran-2-carboxylate2-[(2,3-Dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl 5-bromofuran-2-carboxylate
Database identifiers
- CAS
485758-84-7- PubChem CID
- 3948273
- DTXSID
DTXSID001320287- ChEMBL
CHEMBL1706742
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 448
Experimental & physicochemical properties
Solubility5.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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