Basic information
- CAS
379710-29-9- Standard SMILES
COc1ccc(OC)c(NC(=O)CSc2nnnn2C)c1- InChIKey
REDDRDGSQHMJSI-UHFFFAOYSA-N- Molecular formula
- C12H15N5O3S
- Average molar mass
- 309.35 g/mol
- Monoisotopic mass
- 309.08956053
Names & identifiers
- Preferred name
- N-(2,5-dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
- IUPAC
- N-(2,5-dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
Names & synonyms
N-(2,5-dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide379710-29-9N-(2,5-dimethoxyphenyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamideCBKinase1_003040CBKinase1_015440MLS000856049CHEMBL1534391DTXSID401325227HMS2676J18STK270270AKOS000655613CCG-203419
Show more names
SMR000286494ST50278336BRD-K10902034-001-01-8Z18520291
Database identifiers
- CAS
379710-29-9- PubChem CID
- 894568
- DTXSID
DTXSID401325227- ChEMBL
CHEMBL1534391
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 349
Experimental & physicochemical properties
Solubility25.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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