N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-{[5-(propan-2-yl)-4-propyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-{[5-(propan-2-yl)-4-propyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-{[5-(propan-2-yl)-4-propyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y205-1160 |
| Compound Name: | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-{[5-(propan-2-yl)-4-propyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 417.59 |
| Molecular Formula: | C20 H27 N5 O S2 |
| Smiles: | CCCn1c(C(C)C)nnc1SCC(Nc1c(C#N)c2CCCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5726 |
| logD: | 3.5155 |
| logSw: | -4.3241 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.742 |
| InChI Key: | WPHBJWJWEVTZRS-UHFFFAOYSA-N |