ethyl 4,5-dimethyl-2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido]thiophene-3-carboxylate

Chemical Structure Depiction of
ethyl 4,5-dimethyl-2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido]thiophene-3-carboxylate
Available: 95 mg
Amount:
mg
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Compound characteristics

Compound ID: K061-0691
Compound Name: ethyl 4,5-dimethyl-2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido]thiophene-3-carboxylate
Molecular Weight: 353.35
Molecular Formula: C13 H15 N5 O5 S
Smiles: CCOC(c1c(C)c(C)sc1NC(Cn1cnc(n1)[N+]([O-])=O)=O)=O
Stereo: ACHIRAL
logP: 1.9575
logD: -0.2022
logSw: -2.5877
Hydrogen bond acceptors count: 11
Hydrogen bond donors count: 1
Polar surface area: 100.332
InChI Key: MYWCAYNMUURAFL-UHFFFAOYSA-N
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