1-(adamantan-1-yl)-2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(adamantan-1-yl)-2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(adamantan-1-yl)-2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8014-2562 |
| Compound Name: | 1-(adamantan-1-yl)-2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 485.69 |
| Molecular Formula: | C30 H35 N3 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nnc(n1c1ccccc1)SCC(C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 8.3841 |
| logD: | 8.3841 |
| logSw: | -5.934 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.993 |
| InChI Key: | NYXFALNWTOYYAS-UHFFFAOYSA-N |