N-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-3-ethoxybenzamide
Chemical Structure Depiction of
N-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-3-ethoxybenzamide
N-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-3-ethoxybenzamide
Compound characteristics
| Compound ID: | 3086-0043 |
| Compound Name: | N-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-3-ethoxybenzamide |
| Molecular Weight: | 383.51 |
| Molecular Formula: | C21 H25 N3 O2 S |
| Smiles: | CCOc1cccc(c1)C(Nc1nnc(C23CC4CC(CC(C4)C3)C2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8725 |
| logD: | 5.57 |
| logSw: | -5.5161 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.76 |
| InChI Key: | MZWNIFFSRTXYOW-UHFFFAOYSA-N |