1-(Cyclopropylmethyl)-3-methyl-5-(3-methylpyridin-2-yl)-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide

HCID 53380643
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Basic information

Standard SMILES
Cc1cccnc1-c1ccc2c(c1)N(C)S(=O)(=O)N2CC1CC1
InChIKey
IMYVYMOISLCSRR-UHFFFAOYSA-N
Molecular formula
C17H19N3O2S
Average molar mass
329.4 g/mol
Monoisotopic mass
329.11979803

Names & identifiers

Preferred name
1-(Cyclopropylmethyl)-3-methyl-5-(3-methylpyridin-2-yl)-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide
IUPAC
1-(cyclopropylmethyl)-3-methyl-5-(3-methyl-2-pyridinyl)-2lambda6,1,3-benzothiadiazole 2,2-dioxide

Names & synonyms

SCHEMBL12328792IMYVYMOISLCSRR-UHFFFAOYSA-N1-(cyclopropylmethyl)-3-methyl-5-(3-methylpyridin-2-yl)-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide

Database identifiers

PubChem CID
53380643

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
61.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
23

Related reactions

1 records
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Compound notes

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1-(Cyclopropylmethyl)-3-methyl-5-(3-methylpyridin-2-yl)-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide (HCID 53380643)｜Huagongshe