N-[(4-ethyl-5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide

Chemical Structure Depiction of
N-[(4-ethyl-5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide
Available: 88 mg
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mg
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Compound characteristics

Compound ID: C592-2038
Compound Name: N-[(4-ethyl-5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide
Molecular Weight: 471.6
Molecular Formula: C24 H30 F N5 O2 S
Smiles: CCn1c(CNC(C23CC4CC(CC(C4)C3)C2)=O)nnc1SCC(Nc1ccc(cc1)F)=O
Stereo: ACHIRAL
logP: 4.3244
logD: 4.3243
logSw: -4.1791
Hydrogen bond acceptors count: 7
Hydrogen bond donors count: 2
Polar surface area: 72.809
InChI Key: NJHKNUAYXSVBMX-UHFFFAOYSA-N
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