1-(adamantan-1-yl)-2-{[5-(3-ethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(adamantan-1-yl)-2-{[5-(3-ethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(adamantan-1-yl)-2-{[5-(3-ethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8016-5772 |
| Compound Name: | 1-(adamantan-1-yl)-2-{[5-(3-ethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 411.57 |
| Molecular Formula: | C23 H29 N3 O2 S |
| Smiles: | CCOc1cccc(c1)c1nnc(n1C)SCC(C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5864 |
| logD: | 5.5864 |
| logSw: | -5.4127 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.455 |
| InChI Key: | PHIJQAUBMPSRGR-UHFFFAOYSA-N |