4-(2-{1-[5-(2,3-Dihydro-1H-inden-5-yl)-4-hydroxy-1-methyl-1H-pyrazol-3-yl]ethylidene}hydrazinecarbothioamido)benzoic acid

HCID 86669402
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Basic information

Standard SMILES
CC(=NNC(=S)Nc1ccc(C(=O)O)cc1)c1nn(C)c(-c2ccc3c(c2)CCC3)c1O
InChIKey
SILCAKUFZUELFU-UHFFFAOYSA-N
Molecular formula
C23H23N5O3S
Average molar mass
449.5 g/mol

Names & identifiers

Preferred name
4-(2-{1-[5-(2,3-Dihydro-1H-inden-5-yl)-4-hydroxy-1-methyl-1H-pyrazol-3-yl]ethylidene}hydrazinecarbothioamido)benzoic acid
IUPAC
4-[[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-1-methylpyrazol-3-yl]ethylideneamino]carbamothioylamino]benzoic acid

Names & synonyms

SCHEMBL11908445SILCAKUFZUELFU-UHFFFAOYSA-N4-(2-{1-[5-(2,3-Dihydro-1H-inden-5-yl)-4-hydroxy-1-methyl-1H-pyrazol-3-yl]ethylidene}hydrazinecarbothioamido)benzoic acid

Database identifiers

PubChem CID
86669402

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
144 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
32

Related reactions

1 records
New reaction record

Linked notes

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