[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
Basic information
- CAS
841282-23-3- Standard SMILES
CC(OC(=O)C1=Cc2ccccc2OC1)C(=O)NCc1ccco1- InChIKey
MCIPCXBCJGJUNB-UHFFFAOYSA-N- Molecular formula
- C18H17NO5
- Average molar mass
- 327.3 g/mol
- Monoisotopic mass
- 327.11067264
Names & identifiers
- Preferred name
- [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
- IUPAC
- [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
Names & synonyms
841282-23-31-((Furan-2-ylmethyl)amino)-1-oxopropan-2-yl 2H-chromene-3-carboxylate[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylateMLS000708049CHEMBL1596542DTXSID301330720HMS2679J19AKOS000799581AKOS040829934SMR0002875161-{[(Furan-2-yl)methyl]amino}-1-oxopropan-2-yl 2H-1-benzopyran-3-carboxylate
Database identifiers
- CAS
841282-23-3- PubChem CID
- 3230495
- DTXSID
DTXSID301330720- ChEMBL
CHEMBL1596542
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 504
Experimental & physicochemical properties
Solubility7.1 [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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