N-{[5-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-N-(4-fluorophenyl)methanesulfonamide

Chemical Structure Depiction of
N-{[5-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-N-(4-fluorophenyl)methanesulfonamide
Available: 109 mg
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mg
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Compound characteristics

Compound ID: D532-0445
Compound Name: N-{[5-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-N-(4-fluorophenyl)methanesulfonamide
Molecular Weight: 495.64
Molecular Formula: C22 H30 F N5 O3 S2
Smiles: CC1CC(C)CN(C1)C(CSc1nnc(CN(c2ccc(cc2)F)S(C)(=O)=O)n1CC=C)=O
Stereo: MIXTURE OF STEREOISOMERS
logP: 2.9852
logD: 2.9852
logSw: -3.3885
Hydrogen bond acceptors count: 9
Polar surface area: 73.044
InChI Key: LSOFEFTWRUJROZ-UHFFFAOYSA-N
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