4-(2-cyano-3-{[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl methanesulfonate

Chemical Structure Depiction of
4-(2-cyano-3-{[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl methanesulfonate
Available: 126 mg
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mg
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Compound characteristics

Compound ID: C354-1479
Compound Name: 4-(2-cyano-3-{[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl methanesulfonate
Molecular Weight: 468.57
Molecular Formula: C18 H20 N4 O5 S3
Smiles: CC(C)CSc1nc(NC(C(=C/c2ccc(c(c2)OC)OS(C)(=O)=O)\C#N)=O)sn1
Stereo: ACHIRAL
logP: 3.72
logD: 3.05
logSw: -4.88
Hydrogen bond acceptors count: 12
Hydrogen bond donors count: 1
Polar surface area: 265.41
InChI Key: YIJYBENRFQUXNA-UHFFFAOYSA-N
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