Basic information
- Standard SMILES
C#CCCCC(=O)Nc1cccc(CON=C(c2ccccc2)c2nnnn2C)n1- InChIKey
JTWXNPWAEKLNHW-UHFFFAOYSA-N- Molecular formula
- C21H21N7O2
- Average molar mass
- 403.4 g/mol
Names & identifiers
- Preferred name
- N-{6-[({[(1-methyl-1H-tetrazol-5-yl)(phenyl)methylene]amino}oxy)methyl]pyridin-2-yl}hex-5-ynamide
- IUPAC
- N-[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]hex-5-ynamide
Names & synonyms
SCHEMBL1557760JTWXNPWAEKLNHW-UHFFFAOYSA-NN-{6-[({[(1-methyl-1H-tetrazol-5-yl)(phenyl)methylene]amino}oxy)methyl]pyridin-2-yl}hex-5-ynamide
Database identifiers
- PubChem CID
- 86656569
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 626
Related reactions
2 records
Compound notes
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