ethyl 2-{2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4-methyl-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4-methyl-1,3-thiazole-5-carboxylate
ethyl 2-{2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | 4707-0036 |
| Compound Name: | ethyl 2-{2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 355.44 |
| Molecular Formula: | C13 H17 N5 O3 S2 |
| Smiles: | CCc1nnc([nH]1)SCC(Nc1nc(C)c(C(=O)OCC)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7209 |
| logD: | 1.3916 |
| logSw: | -2.2586 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.262 |
| InChI Key: | BQHOGBWHHQYDPN-UHFFFAOYSA-N |