2-(1-Phenyltetrazol-5-yl)thiomethyl-4-isopropyl-6-methoxysaccharin

HCID 9889727

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

Related reactions

4 records

Linked notes

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