N-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide
N-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | 2513-0949 |
| Compound Name: | N-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C22 H27 N3 O4 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(Nc1nnc(C23CC4CC(CC(C4)C3)C2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2037 |
| logD: | 5.1532 |
| logSw: | -5.0726 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.614 |
| InChI Key: | FTJRVNFXMKCQGI-UHFFFAOYSA-N |