ethyl 2-{[1-(3-chloro-4-methylanilino)isoquinoline-4-carbonyl]amino}benzoate

Chemical Structure Depiction of
ethyl 2-{[1-(3-chloro-4-methylanilino)isoquinoline-4-carbonyl]amino}benzoate
Available: 14 mg
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mg
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Compound characteristics

Compound ID: C066-2023
Compound Name: ethyl 2-{[1-(3-chloro-4-methylanilino)isoquinoline-4-carbonyl]amino}benzoate
Molecular Weight: 459.93
Molecular Formula: C26 H22 Cl N3 O3
Smiles: CCOC(c1ccccc1NC(c1cnc(c2ccccc12)Nc1ccc(C)c(c1)[Cl])=O)=O
Stereo: ACHIRAL
logP: 6.703
logD: 6.6869
logSw: -6.2652
Hydrogen bond acceptors count: 6
Hydrogen bond donors count: 2
Polar surface area: 61.804
InChI Key: DUVQZUOSUXFHCI-UHFFFAOYSA-N
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