N-tert-butyl-2-[(5-{[(naphthalen-2-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-tert-butyl-2-[(5-{[(naphthalen-2-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-tert-butyl-2-[(5-{[(naphthalen-2-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | Y508-6321 |
| Compound Name: | N-tert-butyl-2-[(5-{[(naphthalen-2-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C25 H26 N4 O2 S |
| Smiles: | CC(C)(C)NC(CSc1nnc(COc2ccc3ccccc3c2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6841 |
| logD: | 4.6841 |
| logSw: | -5.2078 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.483 |
| InChI Key: | BUHFYPVLKYXJGA-UHFFFAOYSA-N |