ethyl 2-[2-({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5-dimethylthiophene-3-carboxylate
ethyl 2-[2-({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | C592-3867 |
| Compound Name: | ethyl 2-[2-({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 492.64 |
| Molecular Formula: | C20 H24 N6 O3 S3 |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(CSc1nnc(Cc2csc(N)n2)n1CC=C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0558 |
| logD: | 0.9636 |
| logSw: | -3.1334 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.191 |
| InChI Key: | JBECWJGOTRVKGJ-UHFFFAOYSA-N |