Basic information
- CAS
94084-80-7- Standard SMILES
COc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)o1- InChIKey
BRWSEMQWSIPXQZ-UHFFFAOYSA-N- Molecular formula
- C17H14N2O4
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.09535693
Names & identifiers
- Preferred name
- 2-Furancarboxylic acid, 5-methoxy-, 6-(aminoiminomethyl)-2-naphthalenyl ester, monomethanesulfonate
- IUPAC
- (6-carbamimidoylnaphthalen-2-yl) 5-methoxyfuran-2-carboxylate
Names & synonyms
6-Amidino-2-naphthyl 5-methoxy-furan-2-carboxylate2-Furancarboxylic acid, 5-methoxy-, 6-(aminoiminomethyl)-2-naphthalenyl ester, monomethanesulfonate94084-80-7DTXSID80240381RefChem:261289DTXCID80162872SCHEMBL10745226
Database identifiers
- CAS
94084-80-7- PubChem CID
- 3023398
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 98.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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