N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide

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Basic information

CAS: 851473-47-7
Standard SMILES: COc1ccc(CN(C)C(=O)COc2cccc(-n3cnnn3)c2)cc1OC
InChIKey: QTFGUISTHUSTGT-UHFFFAOYSA-N
Molecular formula: C19H21N5O4
Average molar mass: 383.4 g/mol
Monoisotopic mass: 383.15935417

Names & identifiers

Preferred name: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
IUPAC: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide

Names & synonyms

N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamideMLS002251839CHEMBL1905806DTXSID701325933HMS3052N21AKOS033543289851473-47-7SMR001314211Z16884995N-[(3,4-Dimethoxyphenyl)methyl]-N-methyl-2-[3-(1H-tetrazol-1-yl)phenoxy]acetamide

Database identifiers

CAS: 851473-47-7
PubChem CID: 4882934
DTXSID: DTXSID701325933
ChEMBL: CHEMBL1905806

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 91.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 28
Formal charge: 0
Complexity: 497

Experimental & physicochemical properties

Solubility43.2 [ug/mL] (The mean of the results at pH 7.4)

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Compound notes

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