Basic information
- Standard SMILES
CN1c2cc(-c3ccccc3C#N)ccc2N(CC2CC2)S1(=O)=O- InChIKey
HUYUBKPVDZIHDY-UHFFFAOYSA-N- Molecular formula
- C18H17N3O2S
- Average molar mass
- 339.4 g/mol
Names & identifiers
- Preferred name
- 2-[1-(Cyclopropylmethyl)-3-methyl-2,2-dioxido-1,3-dihydro-2,1,3-benzothiadiazol-5-yl]benzonitrile
- IUPAC
- 2-[1-(cyclopropylmethyl)-3-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl]benzonitrile
Names & synonyms
SCHEMBL2444635HUYUBKPVDZIHDY-UHFFFAOYSA-N2-[1-(cyclopropylmethyl)-3-methyl-2,2-dioxido-1,3-dihydro-2,1,3-benzothiadiazol-5-yl]benzonitrile
Database identifiers
- PubChem CID
- 53380236
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 630
Related reactions
1 records
Compound notes
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