4-butyl-7-(2H-tetrazol-5-ylmethoxy)chromen-2-one
Basic information
- CAS
849001-36-1- Standard SMILES
CCCCc1cc(=O)oc2cc(OCc3nn[nH]n3)ccc12- InChIKey
NXWZCTGTOSNKGY-UHFFFAOYSA-N- Molecular formula
- C15H16N4O3
- Average molar mass
- 300.31 g/mol
- Monoisotopic mass
- 300.12224039
Names & identifiers
- Preferred name
- 4-butyl-7-(2H-tetrazol-5-ylmethoxy)chromen-2-one
- IUPAC
- 4-butyl-7-(2H-tetrazol-5-ylmethoxy)chromen-2-one
- English name
- 4-butyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one
- Molecular formula
- C15H16N4O3
- Molecular weight
- 300.31
Names & synonyms
849001-36-14-butyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one4-butyl-7-(2H-tetrazol-5-ylmethoxy)chromen-2-oneMLS000333689CHEMBL1344279DTXSID401323376HMS2796G14EiM07-19266STK717571AKOS004937090AKOS032390947NCGC00307829-01
Show more names
2H-1-Benzopyran-2-one, 4-butyl-7-(2H-tetrazol-5-ylmethoxy)-
SMR000437882AB00643854-064-Butyl-7-(2H-tetrazol-5-ylmethoxy)-chromen-2-one7-((2H-tetrazol-5-yl)methoxy)-4-butyl-2H-chromen-2-one4-butyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one4-Butyl-7-[(2H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
Database identifiers
- CAS
849001-36-1- PubChem CID
- 2045288
- DTXSID
DTXSID401323376- ChEMBL
CHEMBL1344279
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 429
Experimental & physicochemical properties
Solubility15.9 [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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