2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-cyanothiophen-2-yl)acetamide
Chemical Structure Depiction of
2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-cyanothiophen-2-yl)acetamide
2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-cyanothiophen-2-yl)acetamide
Compound characteristics
| Compound ID: | Y205-6744 |
| Compound Name: | 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-cyanothiophen-2-yl)acetamide |
| Molecular Weight: | 425.57 |
| Molecular Formula: | C21 H23 N5 O S2 |
| Smiles: | CCn1c(c2ccc(cc2)C(C)(C)C)nnc1SCC(Nc1c(C#N)ccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8655 |
| logD: | 4.8318 |
| logSw: | -4.5253 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.965 |
| InChI Key: | VSHZQRGSNAYNFA-UHFFFAOYSA-N |