AC1NT7YI
Basic information
- CAS
6112-17-0- Standard SMILES
Cc1occc1C(=O)O/N=C(\N)c1ccccc1- InChIKey
WUEXOQYPVVZRRG-UHFFFAOYSA-N- Molecular formula
- C13H12N2O3
- Average molar mass
- 244.25 g/mol
- Monoisotopic mass
- 244.08479225
Names & identifiers
- Preferred name
- AC1NT7YI
- IUPAC
- [(Z)-[amino(phenyl)methylidene]amino] 2-methylfuran-3-carboxylate
Names & synonyms
AC1NT7YI6112-17-0DTXSID70417489RefChem:314136DTXCID40368338N'-[(2-methyl-3-furoyl)oxy]benzenecarboximidamideN'-[(2-Methylfuran-3-carbonyl)oxy]benzenecarboximidamideMLS001012217CHEMBL1526637HMS2811O07N'-{[(2-methylfuran-3-yl)carbonyl]oxy}benzenecarboximidamide[(Z)-[amino(phenyl)methylidene]amino] 2-methylfuran-3-carboxylate
Show more names
STK322946AKOS000609382SMR000425221BIM-0002335.P001AB00102670-01(Z)-N'-((2-methylfuran-3-carbonyl)oxy)benzimidamide
Database identifiers
- CAS
6112-17-0- PubChem CID
- 5348249
- DTXSID
DTXSID70417489- ChEMBL
CHEMBL1526637
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 324
Experimental & physicochemical properties
Solubility36.1 [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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