5-(adamantan-1-yl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-(adamantan-1-yl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(adamantan-1-yl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 5933-0675 |
| Compound Name: | 5-(adamantan-1-yl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 275.41 |
| Molecular Formula: | C15 H21 N3 S |
| Smiles: | C=CCN1C(C23CC4CC(CC(C4)C3)C2)=NNC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.4776 |
| logD: | 4.4685 |
| logSw: | -4.3772 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.8681 |
| InChI Key: | OHBBEMCCNREWPO-UHFFFAOYSA-N |