N-(3-cyanothiophen-2-yl)-2-({4-methyl-5-[5-(propan-2-yl)thiophen-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3-cyanothiophen-2-yl)-2-({4-methyl-5-[5-(propan-2-yl)thiophen-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(3-cyanothiophen-2-yl)-2-({4-methyl-5-[5-(propan-2-yl)thiophen-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | Y205-4965 |
| Compound Name: | N-(3-cyanothiophen-2-yl)-2-({4-methyl-5-[5-(propan-2-yl)thiophen-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 403.54 |
| Molecular Formula: | C17 H17 N5 O S3 |
| Smiles: | CC(C)c1cc(cs1)c1nnc(n1C)SCC(Nc1c(C#N)ccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1859 |
| logD: | 3.1523 |
| logSw: | -3.5314 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.069 |
| InChI Key: | NMLAOKYIEBLUTH-UHFFFAOYSA-N |