N-cyclopropyl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
Basic information
- CAS
801247-33-6- Standard SMILES
COc1ccc(-n2nnnc2SCC(=O)NC2CC2)cc1- InChIKey
GSMIZLBEEQYKIK-UHFFFAOYSA-N- Molecular formula
- C13H15N5O2S
- Average molar mass
- 305.36 g/mol
- Monoisotopic mass
- 305.09464591
Names & identifiers
- Preferred name
- N-cyclopropyl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
- IUPAC
- N-cyclopropyl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
Names & synonyms
N-cyclopropyl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamideMLS002156576CHEMBL1703540DTXSID301325755HMS3059O07AKOS017008866801247-33-6SMR001239080Z19623538N-Cyclopropyl-2-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide
Database identifiers
- CAS
801247-33-6- PubChem CID
- 2596136
- DTXSID
DTXSID301325755- ChEMBL
CHEMBL1703540
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 360
Experimental & physicochemical properties
Solubility34 [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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