2-{[4-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[4-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
2-{[4-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y202-9082 |
| Compound Name: | 2-{[4-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 322.45 |
| Molecular Formula: | C14 H18 N4 O S2 |
| Smiles: | CCn1c(c2csc3CCCCc23)nnc1SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4563 |
| logD: | 2.456 |
| logSw: | -2.4781 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.564 |
| InChI Key: | MJIVDCPBYGJTBV-UHFFFAOYSA-N |