ethyl 2-{2-[(9H-purin-6-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Chemical Structure Depiction of
ethyl 2-{2-[(9H-purin-6-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Available: 113 mg
Amount:
mg
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Compound characteristics

Compound ID: D691-0099
Compound Name: ethyl 2-{2-[(9H-purin-6-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Molecular Weight: 417.51
Molecular Formula: C18 H19 N5 O3 S2
Smiles: CCOC(c1c2CCCCc2sc1NC(CSc1c2c(ncn1)[nH]cn2)=O)=O
Stereo: ACHIRAL
logP: 2.5388
logD: 0.4356
logSw: -2.6636
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 2
Polar surface area: 86.153
InChI Key: QAUAMUFNFBJTOL-UHFFFAOYSA-N
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