Ethyl 3-{[5-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-1H-indazol-3-yl]sulfamoyl}-propanoate

HCID 44547844
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Basic information

Standard SMILES
CCOC(=O)CCS(=O)(=O)Nc1n[nH]c2ccc(C3C(C#N)=C(C)NC(C)=C3C#N)cc12
InChIKey
JADNPSFVXWTHBR-UHFFFAOYSA-N
Molecular formula
C21H22N6O4S
Average molar mass
454.5 g/mol

Names & identifiers

Preferred name
Ethyl 3-{[5-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-1H-indazol-3-yl]sulfamoyl}-propanoate
IUPAC
ethyl 3-[[5-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-1H-indazol-3-yl]sulfamoyl]propanoate

Names & synonyms

SCHEMBL2300557JADNPSFVXWTHBR-UHFFFAOYSA-NEthyl 3-{[5-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-1H-indazol-3-yl]sulfamoyl}-propanoate

Database identifiers

PubChem CID
44547844

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
169 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
32

Related reactions

2 records
New reaction record

Compound notes

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