N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8015-7193 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C18 H16 N6 O S2 |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(CSc1nnc(c3ccncc3)[nH]1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.2411 |
| logD: | 1.184 |
| logSw: | -2.5783 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.823 |
| InChI Key: | OQFOQEFORBIGPC-UHFFFAOYSA-N |