N-(adamantan-1-yl)-2-({5-[(2-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(adamantan-1-yl)-2-({5-[(2-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(adamantan-1-yl)-2-({5-[(2-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8016-3116 |
| Compound Name: | N-(adamantan-1-yl)-2-({5-[(2-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 452.62 |
| Molecular Formula: | C25 H32 N4 O2 S |
| Smiles: | Cc1ccccc1OCc1nnc(n1CC=C)SCC(NC12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7668 |
| logD: | 4.7668 |
| logSw: | -4.6398 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.948 |
| InChI Key: | GHVRMOFYJZMYEA-UHFFFAOYSA-N |