2-[4-(tetrazol-1-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide
Basic information
- CAS
747412-31-3- Standard SMILES
COc1cc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc(OC)c1OC- InChIKey
SOZIFWNZTZYBLB-UHFFFAOYSA-N- Molecular formula
- C18H19N5O5
- Average molar mass
- 385.4 g/mol
- Monoisotopic mass
- 385.13861872
Names & identifiers
- Preferred name
- 2-[4-(tetrazol-1-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide
- IUPAC
- 2-[4-(tetrazol-1-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide
Names & synonyms
2-[4-(tetrazol-1-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamideMLS002249750CHEMBL1700504DTXSID801325405HMS3059D24AKOS017025702747412-31-3SMR001317176Z251813492-[4-(1H-Tetrazol-1-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide
Database identifiers
- CAS
747412-31-3- PubChem CID
- 2104191
- DTXSID
DTXSID801325405- ChEMBL
CHEMBL1700504
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 477
Experimental & physicochemical properties
Solubility4.6 [ug/mL] (The mean of the results at pH 7.4)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…