ethyl 2-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Chemical Structure Depiction of
ethyl 2-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Available: 114 mg
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mg
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Compound characteristics

Compound ID: 6623-1172
Compound Name: ethyl 2-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Molecular Weight: 481.59
Molecular Formula: C23 H23 N5 O3 S2
Smiles: CCOC(c1c2CCCCc2sc1NC(CSc1nc2c(c3ccccc3n2C)nn1)=O)=O
Stereo: ACHIRAL
logP: 4.0932
logD: 2.042
logSw: -4.2038
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 1
Polar surface area: 77.406
InChI Key: SOKJZGSUNGNRJU-UHFFFAOYSA-N
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