methyl 3-{2-[(1H-1,2,3-triazol-5-yl)sulfanyl]acetamido}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{2-[(1H-1,2,3-triazol-5-yl)sulfanyl]acetamido}thiophene-2-carboxylate
methyl 3-{2-[(1H-1,2,3-triazol-5-yl)sulfanyl]acetamido}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8020-8986 |
| Compound Name: | methyl 3-{2-[(1H-1,2,3-triazol-5-yl)sulfanyl]acetamido}thiophene-2-carboxylate |
| Molecular Weight: | 298.34 |
| Molecular Formula: | C10 H10 N4 O3 S2 |
| Smiles: | COC(c1c(ccs1)NC(CSc1cnn[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3606 |
| logD: | 1.3014 |
| logSw: | -2.1631 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.804 |
| InChI Key: | REHAIIMSFJPDOE-UHFFFAOYSA-N |