N-[2-(3-{[2-(4-fluoro-2-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)-4-methylphenyl]propanamide

Chemical Structure Depiction of
N-[2-(3-{[2-(4-fluoro-2-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)-4-methylphenyl]propanamide
Available: 103 mg
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mg
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Compound characteristics

Compound ID: J041-0227
Compound Name: N-[2-(3-{[2-(4-fluoro-2-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)-4-methylphenyl]propanamide
Molecular Weight: 455.51
Molecular Formula: C22 H22 F N5 O3 S
Smiles: CCC(Nc1ccc(C)cc1C1C(NC(=NN=1)SCC(Nc1ccc(cc1C)F)=O)=O)=O
Stereo: ACHIRAL
logP: 2.7317
logD: 2.6976
logSw: -3.0861
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 3
Polar surface area: 89.699
InChI Key: PHOPJUOSDKMYJN-UHFFFAOYSA-N
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