2-chloro-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl 4-fluorobenzoate

Chemical Structure Depiction of
2-chloro-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl 4-fluorobenzoate
Available: 160 mg
Amount:
mg
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Compound characteristics

Compound ID: C482-0672
Compound Name: 2-chloro-4-{2-cyano-3-[(5-methyl-3-isoxazolyl)amino]-3-oxo-1-propenyl}phenyl 4-fluorobenzoate
Molecular Weight: 425.8
Molecular Formula: C21 H13 Cl F N3 O4
Smiles: Cc1cc(NC(C(=C/c2ccc(c(c2)[Cl])OC(c2ccc(cc2)F)=O)\C#N)=O)no1
Stereo: ACHIRAL
logP: 4.77
logD: 3.25
logSw: -5.62
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 1
Polar surface area: 173.97
InChI Key: VZHZRHZLYJYXNB-UHFFFAOYSA-N
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