N-(3,5-dimethylphenyl)-2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide
Basic information
- CAS
878430-75-2- Standard SMILES
Cc1cc(C)cc(NC(=O)CSc2nnnn2-c2cccnc2)c1- InChIKey
YZOSSDJOHLORSP-UHFFFAOYSA-N- Molecular formula
- C16H16N6OS
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.11063033
Names & identifiers
- Preferred name
- N-(3,5-dimethylphenyl)-2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide
- IUPAC
- N-(3,5-dimethylphenyl)-2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide
Names & synonyms
878430-75-2N-(3,5-dimethylphenyl)-2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamideN-(3,5-dimethylphenyl)-2-{[1-(pyridin-3-yl)-1H-tetrazol-5-yl]sulfanyl}acetamideMLS001222044CHEMBL1363153DTXSID701321755HMS2911G18STK869144AKOS000630198N-(3,5-Dimethyl-phenyl)-2-(1-pyridin-3-yl-1H-tetrazol-5-ylsulfanyl)-acetamideSMR000613426ST50316504
Show more names
N-(3,5-dimethylphenyl)-2-((1-(pyridin-3-yl)-1H-tetrazol-5-yl)thio)acetamideN-(3,5-DIMETHYLPHENYL)-2-{[1-(PYRIDIN-3-YL)-1,2,3,4-TETRAZOL-5-YL]SULFANYL}ACETAMIDE
Database identifiers
- CAS
878430-75-2- PubChem CID
- 6460422
- DTXSID
DTXSID701321755- ChEMBL
CHEMBL1363153
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 415
Experimental & physicochemical properties
Solubility1.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…