9-[4-(3,4-Dimethylphenoxy)phenyl]-3,4,6,7,8,9-hexahydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide

HCID 66748367
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Basic information

Standard SMILES
Cc1ccc(Oc2ccc(C3CCCN4CCS(=O)(=O)N=C34)cc2)cc1C
InChIKey
HHEHZIFZGAJXNO-UHFFFAOYSA-N
Molecular formula
C21H24N2O3S
Average molar mass
384.5 g/mol
Monoisotopic mass
384.15076381

Names & identifiers

Preferred name
9-[4-(3,4-Dimethylphenoxy)phenyl]-3,4,6,7,8,9-hexahydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide
IUPAC
9-[4-(3,4-dimethylphenoxy)phenyl]-3,4,6,7,8,9-hexahydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide

Names & synonyms

SCHEMBL624440HHEHZIFZGAJXNO-UHFFFAOYSA-N9-[4-(3,4-dimethylphenoxy)phenyl]-3,4,6,7,8,9-hexahydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide

Database identifiers

PubChem CID
66748367

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
67.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
27

Related reactions

4 records
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Compound notes

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