N-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-4-butoxybenzamide
Chemical Structure Depiction of
N-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-4-butoxybenzamide
N-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-4-butoxybenzamide
Compound characteristics
| Compound ID: | 3202-0057 |
| Compound Name: | N-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-4-butoxybenzamide |
| Molecular Weight: | 411.57 |
| Molecular Formula: | C23 H29 N3 O2 S |
| Smiles: | CCCCOc1ccc(cc1)C(Nc1nnc(C23CC4CC(CC(C4)C3)C2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8552 |
| logD: | 6.3743 |
| logSw: | -5.6358 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.054 |
| InChI Key: | YBJVGBOVCZTIGE-UHFFFAOYSA-N |