Basic information
- Standard SMILES
COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(CSc1nnnn1-c1ccccc1)C2=O- InChIKey
LZCQHGLOTYILCS-UHFFFAOYSA-N- Molecular formula
- C19H19N5O4S2
- Average molar mass
- 445.5 g/mol
Names & identifiers
- Preferred name
- 2-(1-Phenyltetrazol-5-yl)thiomethyl-4-isopropyl-6-methoxysaccharin
- IUPAC
- 6-methoxy-1,1-dioxo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-4-propan-2-yl-1,2-benzothiazol-3-one
Names & synonyms
WIN-63395CHEMBL98422SCHEMBL7307414LZCQHGLOTYILCS-UHFFFAOYSA-NBDBM500297032-(1-phenyltetrazol-5-yl)thiomethyl-4-isopropyl-6-methoxysaccharin4-Isopropyl-6-methoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmethyl)-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one
Database identifiers
- PubChem CID
- 9889727
- ChEMBL
CHEMBL98422
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 725
Related reactions
4 records
Linked notes
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