[3-(5,7-Difluoro-benzothiazol-2-ylmethyl)-4-oxo-3,4-dihydro-phthalazin-1-yl]-acetic acid

Modify Date: 2025-11-08 17:13:05

[3-(5,7-Difluoro-benzothiazol-2-ylmethyl)-4-oxo-3,4-dihydro-phthalazin-1-yl]-acetic acid Structure
[3-(5,7-Difluoro-benzothiazol-2-ylmethyl)-4-oxo-3,4-dihydro-phthalazin-1-yl]-acetic acid structure
Common Name [3-(5,7-Difluoro-benzothiazol-2-ylmethyl)-4-oxo-3,4-dihydro-phthalazin-1-yl]-acetic acid
CAS Number 122665-80-9 Molecular Weight 387.4
Density N/A Boiling Point N/A
Molecular Formula C18H11F2N3O3S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name [3-(5,7-Difluoro-benzothiazol-2-ylmethyl)-4-oxo-3,4-dihydro-phthalazin-1-yl]-acetic acid

 Chemical & Physical Properties

Molecular Formula C18H11F2N3O3S
Molecular Weight 387.4
InChIKey KNWXUWPPDTZSFW-UHFFFAOYSA-N
SMILES O=C(O)Cc1nn(Cc2nc3cc(F)cc(F)c3s2)c(=O)c2ccccc12

 Bioassay

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Name: Compound was evaluated for the partition coefficient (dioxane/water) in the ratio 1:1
Source: ChEMBL
Target: N/A
External Id: CHEMBL641470
Name: Compound was evaluated for the partition coefficient (dioxane/water) the ratio 2:1
Source: ChEMBL
Target: N/A
External Id: CHEMBL641471
Name: Compound was evaluated for the ED50(acute) in male Sprague-Dawley rats(n=4) treated w...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL783259
Name: Compound was evaluated for the ED50(chronic) in male Sprague-Dawley rats(n=4) treated...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL783260
Name: Partition coefficient (logP)
Source: ChEMBL
Target: N/A
External Id: CHEMBL635914
Name: Compound was evaluated for the partition coefficient (octanol/pH 7.4 buffer)
Source: ChEMBL
Target: N/A
External Id: CHEMBL635915
Name: In vivo inhibition of sorbitol accumulation in the rat following 10 mg/kg p.o. admini...
Source: ChEMBL
Target: Sorbitol dehydrogenase
External Id: CHEMBL782827
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