N-(4-{[2-(2H-1,3-benzodioxol-5-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)-3-ethyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide

Chemical Structure Depiction of
N-(4-{[2-(2H-1,3-benzodioxol-5-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)-3-ethyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Available: 1 mg
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mg
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Compound characteristics

Compound ID: K821-0117
Compound Name: N-(4-{[2-(2H-1,3-benzodioxol-5-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)-3-ethyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Molecular Weight: 594.6
Molecular Formula: C31 H22 N4 O7 S
Smiles: CCN1C=Nc2c(C1=O)c(C)c(C(Nc1ccc(cc1)Oc1ccc3C(N(C(c3c1)=O)c1ccc3c(c1)OCO3)=O)=O)s2
Stereo: ACHIRAL
logP: 4.6952
logD: 4.694
logSw: -4.6796
Hydrogen bond acceptors count: 12
Hydrogen bond donors count: 1
Polar surface area: 101.833
InChI Key: YGCSDBHHMZOURM-UHFFFAOYSA-N
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