2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | D291-0226 |
| Compound Name: | 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide |
| Molecular Weight: | 393.44 |
| Molecular Formula: | C14 H15 N7 O3 S2 |
| Smiles: | CC(Nc1c(c2nnc(n2C)SCC(NCc2cccs2)=O)non1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0789 |
| logD: | 1.0741 |
| logSw: | -2.1048 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.831 |
| InChI Key: | OCSVCPSMLMOKKZ-UHFFFAOYSA-N |