N-(adamantan-1-yl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(adamantan-1-yl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(adamantan-1-yl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8017-4911 |
| Compound Name: | N-(adamantan-1-yl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 383.51 |
| Molecular Formula: | C20 H25 N5 O S |
| Smiles: | Cn1c(c2ccncc2)nnc1SCC(NC12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7985 |
| logD: | 2.7972 |
| logSw: | -3.1236 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.646 |
| InChI Key: | WPJPHHMDHUSDIK-UHFFFAOYSA-N |