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