5-(adamantan-1-yl)-4-(3-methoxypropyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-(adamantan-1-yl)-4-(3-methoxypropyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(adamantan-1-yl)-4-(3-methoxypropyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8015-6405 |
| Compound Name: | 5-(adamantan-1-yl)-4-(3-methoxypropyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 307.46 |
| Molecular Formula: | C16 H25 N3 O S |
| Smiles: | COCCCN1C(C23CC4CC(CC(C4)C3)C2)=NNC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.1859 |
| logD: | 4.1788 |
| logSw: | -4.0339 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.21 |
| InChI Key: | WKGUHNJLXVEOCO-UHFFFAOYSA-N |