N-tert-butyl-2-({5-[(naphthalen-1-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-tert-butyl-2-({5-[(naphthalen-1-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-tert-butyl-2-({5-[(naphthalen-1-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8018-5582 |
| Compound Name: | N-tert-butyl-2-({5-[(naphthalen-1-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 394.54 |
| Molecular Formula: | C22 H26 N4 O S |
| Smiles: | CC(C)(C)NC(CSc1nnc(Cc2cccc3ccccc23)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2692 |
| logD: | 4.2692 |
| logSw: | -4.3401 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.491 |
| InChI Key: | OVAHVRHSBINBHL-UHFFFAOYSA-N |